Analysis summary for experiment 5000

Session details

Experiment ID: 5000

Elemental composition: ['C', 'H', 'N', 'O']

Temperature: 10 K

Peak statistics

Peak detection threshold (in signal units) was set to 6.

Interactive spectrum overview

Assignments

frequency intensity formula name catalog_frequency deviation ustate_energy source
0 6093.7501 139.793 Artifact 6093.7500 -0.000 0.00 Artifact
1 6347.6557 18.949 Artifact 6347.6562 0.001 0.00 Artifact
2 6385.0794 17.583 c10h6 buta-1,3-diynylbenzene 6385.0756 -0.004 0.92 Catalog
3 6487.5190 7.745 c6h6o benzenol 6487.4913 -0.028 1.08 Catalog
4 6531.5189 60.081 c10h6 buta-1,3-diynylbenzene 6531.5193 0.000 0.76 Catalog
5 6543.7217 35.163 c10h6 buta-1,3-diynylbenzene 6543.7208 -0.001 1.45 Catalog
6 6552.1609 12.386 c7h6o 6-methylidenecyclohexa-2,4-dien-1-one 6552.1580 -0.003 0.37 Catalog
7 6557.7723 41.790 c10h6 buta-1,3-diynylbenzene 6557.7739 0.002 1.45 Catalog
8 6568.1672 6.392 cxhxo umol-1297 6568.1420 -0.025 0.36 Catalog
9 6595.3546 59.970 c5h4o cyclopenta-2,4-dien-1-one 6595.3478 -0.007 0.22 Catalog
10 6597.5741 11.670 c5h4o cyclopenta-2,4-dien-1-one, ve1 6597.5571 -0.017 0.22 Catalog
11 6599.4774 7.513 c6h6o benzenol 6599.4619 -0.016 1.08 Catalog
12 6601.5626 35.011 Artifact 6601.5625 -0.000 0.00 Artifact
13 6642.9642 12.251 c7h6o 4-ethenylidene-cyclopent-2-en-1-one 6642.9621 -0.002 0.61 Catalog
14 6647.9346 16.173 c7h2o hepta-2,4,6-triynal 6647.9241 -0.010 0.78 Catalog
15 6699.6188 38.258 c10h6 buta-1,3-diynylbenzene 6699.6119 -0.007 0.95 Catalog
860 6700.0900 7.320 c7h6 (4Z)-hepta-1,2,4-trien-6-yne (anti) 6700.0780 -0.012 0.45 Catalog
16 6750.9549 9.207 cxhxo umol-2431 6750.8987 -0.056 0.00 Line file
17 6844.3856 10.088 cxhxo umol-1499 6844.3063 -0.079 2.07 Catalog
861 6855.4660 64.120 Artifact 6855.4688 0.003 0.00 Artifact
862 6856.3550 52.795 c6h6o (2E)-hexa-2,4,5-trienal 6856.3454 -0.010 0.57 Catalog
18 6858.3498 28.861 c7h6 5-ethenylidenecyclopenta-1,3-diene 6858.3537 0.004 0.34 Catalog
19 6869.2212 13.692 c6h6o (2E)-hexa-2,4,5-trienal, ve1 6869.2189 -0.002 0.00 Line file
20 6914.9257 6.145 c7h6o 4-ethenylidene-cyclopent-2-en-1-one 6914.8712 -0.055 0.46 Catalog
21 6943.9058 17.101 c6h6 (2Z)-hexa-1,3-dien-5-yne (anti) 6943.9137 0.008 0.61 Catalog
22 6956.3931 17.588 c6h6o cyclohexa-2,4-dien-1-one 6956.3974 0.004 0.23 Catalog
863 7005.1600 6.880 c6hn cyanopenta-2,4-diyne-2,2-diyl 7005.3284 0.168 0.77 Catalog
864 7005.8700 9.480 cxhxo umol-1313 7005.8768 0.007 0.45 Catalog
23 7028.7469 7.832 c5h4o pent-1-en-4-yn-3-one (anti) 7028.8740 0.127 0.23 Catalog
24 7035.9977 10.096 cxhy umol-1850 7035.9277 -0.070 0.82 Catalog
25 7045.8965 37.588 c5h4o (Z)-pent-2-en-4-ynal (anti) 7045.8925 -0.004 0.62 Catalog
26 7060.7510 11.346 c7h6o 6-methylidenecyclohexa-2,4-dien-1-one 7060.7421 -0.009 0.36 Catalog
27 7078.0633 9.152 cxhxo umol-1313 7078.0783 0.015 0.53 Catalog
28 7104.4624 7.132 cxhxo umol-1499 7104.5530 0.091 0.36 Catalog
29 7108.0984 7.899 c6h6o 4-methylene cyclopentenone 7108.2036 0.105 0.51 Catalog
30 7109.4732 7.722 Artifact 7109.3750 -0.098 0.00 Artifact
31 7161.3740 6.931 c6h5n cyclopenta-1,3-diene-1-carbonitrile 7161.3756 0.002 2.75 Catalog
32 7193.6147 6.306 Artifact 7193.6147 -0.000 0.00 Artifact
33 7209.1239 10.446 c7h6 5-ethenylidenecyclopenta-1,3-diene 7209.1142 -0.010 0.58 Catalog
34 7223.7454 17.108 c7h6o 4-ethenylidene-cyclopent-2-en-1-one 7223.7356 -0.010 0.65 Catalog
35 7275.8327 33.367 c6h6 (2Z)-hexa-1,3-dien-5-yne (anti) 7275.8244 -0.008 0.36 Catalog
36 7285.5214 12.432 c7h4 hepta-1,2-dien-4,6-diyne 7285.5294 0.008 1.10 Catalog
37 7287.9318 9.016 cxhxo umol-1313 7287.9189 -0.013 0.69 Catalog
38 7307.4269 6.677 c7h4 hepta-1,2,3,4,5-pentaene-6-yne 7307.4336 0.007 0.61 Catalog
39 7334.1350 19.467 c5h2o penta-1,4-diyn-3-one 7334.1346 -0.000 1.19 Catalog
40 7351.5154 23.543 c6h6o cyclohexa-2,5-dien-1-one (13C3) 7351.4592 -0.056 6.51 Catalog
41 7363.2860 29.599 Artifact 7363.2812 -0.005 0.00 Artifact
42 7380.9176 72.547 c5h4o (Z)-pent-2-en-4-ynal (anti) 7380.9139 -0.004 0.37 Catalog
865 7383.5600 8.850 c7h4 hepta-1,2-dien-4,6-diyne 7383.5346 -0.025 0.62 Catalog
43 7384.3704 25.535 c6h6o benzenol 7384.3719 0.001 0.25 Catalog
866 7396.0900 6.790 c7h6o cyclohepta-2,4,6-trien-1-one 7396.1076 0.018 0.44 Catalog
44 7447.7839 16.507 c10h6 buta-1,3-diynylbenzene 7447.7863 0.002 1.17 Catalog
45 7450.1709 8.847 c7h6o 4-ethenylidene-cyclopent-2-en-1-one 7450.1262 -0.045 1.86 Catalog
46 7496.3566 42.783 c6h6o benzenol 7496.3484 -0.008 0.25 Catalog
47 7582.1186 72.357 c6h6o 4-methylene cyclopentenone 7582.1163 -0.002 0.38 Catalog
48 7614.0493 91.792 c10h6 buta-1,3-diynylbenzene 7614.0504 0.001 1.02 Catalog
49 7617.1901 44.005 Artifact 7617.1875 -0.003 0.00 Artifact
50 7630.5246 6.581 c6h6 (2Z)-hexa-1,3-dien-5-yne (anti) 7630.5148 -0.010 0.64 Catalog
51 7633.3102 13.304 c6h6o cyclohexa-2,4-dien-1-one 7633.2803 -0.030 6.59 Catalog
52 7655.7709 74.608 c10h6 buta-1,3-diynylbenzene 7655.7719 0.001 1.70 Catalog
53 7663.1559 7.372 c6hn cyanopenta-2,4-diyne-2,2-diyl 7663.3553 0.199 0.88 Catalog
867 7669.9600 6.830 cxhxo umol-1297 7669.9826 0.023 0.59 Catalog
54 7670.9944 20.381 c5h4o cyclopenta-2,4-dien-1-one 7670.9980 0.004 1.60 Catalog
55 7705.7602 21.785 c8h6 ethynylbenzene 7705.7598 -0.000 0.66 Catalog
56 7711.0605 9.593 c8h6 ethynylbenzene,v23 7710.9989 -0.062 0.66 Catalog
57 7738.6394 25.068 c5h4o (Z)-pent-2-en-4-ynal (anti) 7738.6401 0.001 0.65 Catalog
58 7741.9149 9.136 cxhxo umol-1313 7741.8435 -0.071 0.71 Catalog
59 7752.2700 28.827 c7h6o benzaldehyde 7752.2721 0.002 0.65 Catalog
60 7755.8981 11.763 c7h2o hepta-2,4,6-triynal 7755.8981 -0.000 1.03 Catalog
61 7773.4708 19.724 c7h5n benzonitrile 7773.4642 -0.007 0.66 Catalog
62 7778.4330 18.202 c7h5n benzonitrile, v21 7778.4838 0.051 0.66 Catalog
63 7786.4240 9.857 c9h5n 3-phenylprop-2-ynenitrile 7786.3685 -0.056 1.21 Catalog
64 7792.9717 58.315 c5h6o (2E)-penta-2,4-dienal (anti) 7792.9729 0.001 1.42 Catalog
65 7797.2842 13.161 c5h6o (3E)-penta-1,3-dien-1-one (anti) 7797.2733 -0.011 0.52 Catalog
66 7814.6254 45.179 c10h6 buta-1,3-diynylbenzene 7814.6283 0.003 1.21 Catalog
67 7860.9479 14.285 cxhyo test11 7860.9663 0.018 0.00 Line file
68 7871.0929 75.931 Artifact 7871.0938 0.001 0.00 Artifact
69 7882.7763 187.007 c5h6o (2E)-penta-2,4-dienal (anti) 7882.7751 -0.001 0.53 Catalog
70 7898.1689 18.266 c5h2o penta-2,4-diynal 7898.1693 0.000 2.32 Catalog
71 7910.5190 7.074 c3h cyclopropa-1-yne-3-yl_radical,ve2 7910.3095 -0.210 7.93 Catalog
868 7925.9600 6.640 c6h6o cyclohexa-2,5-dien-1-one (13C4) 7925.9153 -0.045 0.50 Catalog
72 7947.0731 192.516 c5h2o penta-2,4-diynal 7947.0717 -0.001 0.53 Catalog
73 7973.4316 11.323 c5h6o (2E)-penta-2,4-dienal (anti) 7973.2669 -0.165 1.44 Catalog
869 7973.6900 7.190 c6h6o cyclohexa-2,5-dien-1-one (13C3) 7973.6941 0.004 0.50 Catalog
74 7985.7203 12.313 c6h4 hex-1-ene-3,5-diyne 7985.7085 -0.012 1.84 Catalog
75 7996.7303 14.722 c5h2o penta-2,4-diynal 7996.7370 0.007 2.33 Catalog
76 7998.4879 10.572 c6h6o cyclohexa-2,4-dien-1-one (13C4) 7998.4905 0.003 0.50 Catalog
77 8000.0009 201.356 Artifact 8000.0000 -0.001 0.00 Artifact
78 8005.8004 6.545 c6h6o cyclohexa-2,5-dien-1-one (13C1) 8005.7466 -0.054 0.50 Catalog
79 8007.0692 9.011 c6h6o cyclohexa-2,4-dien-1-one (13C2) 8007.1758 0.107 0.50 Catalog
80 8009.2793 9.995 c6h6o cyclohexa-2,5-dien-1-one (13C2) 8009.2163 -0.063 0.50 Catalog
81 8041.0433 136.147 c6h6o cyclohexa-2,5-dien-1-one 8041.0344 -0.009 0.50 Catalog
82 8053.7003 99.810 c6h4 hex-1-ene-3,5-diyne 8053.7019 0.002 0.54 Catalog
83 8059.2676 13.235 cxhxo umol-1313 8059.2613 -0.006 0.69 Catalog
84 8073.0664 11.334 c6h4 cyclohexa-1,3-dien-5-yne 8073.1768 0.110 1.10 Catalog
85 8075.5685 1048.832 c6h6o cyclohexa-2,4-dien-1-one 8075.5668 -0.002 0.50 Catalog
86 8122.3093 12.372 c6h4 hex-1-ene-3,5-diyne 8122.3221 0.013 1.84 Catalog
870 8124.7100 9.080 cxhxo umol-1297 8124.6842 -0.026 0.41 Catalog
87 8125.0033 37.132 Artifact 8125.0000 -0.003 0.00 Artifact
88 8131.1777 92.688 c8h6 ethynylbenzene 8131.1787 0.001 0.54 Catalog
89 8134.0805 6.912 c8h6 ethynylbenzene,v16 8134.0954 0.015 0.54 Catalog
90 8135.8043 33.051 c8h6 ethynylbenzene,v23 8135.8011 -0.003 0.54 Catalog
871 8140.3600 5.990 c8h6 ethynylbenzene,2v23 8140.3994 0.039 0.54 Catalog
91 8140.8635 16.613 c6h6o 4-methylene cyclopentenone 8140.8614 -0.002 0.56 Catalog
92 8142.9829 86.485 c5h4 penta-1,3-diyne 8142.9858 0.003 0.41 Catalog
93 8150.7807 29.718 cxhyo super3 8150.7818 0.001 0.00 Line file
94 8153.3372 7.479 c5h4 penta-1,3-diyne,1v12 8153.4632 0.126 0.41 Catalog
95 8154.8376 8.015 c5h4 penta-1,3-diyne,ve2 8154.8069 -0.031 0.00 Line file
96 8204.0683 23.300 c8h6 ethynylbenzene 8204.0639 -0.004 1.12 Catalog
872 8206.5800 7.950 c7h5n benzonitrile 8206.5643 -0.016 0.55 Catalog
873 8206.8400 14.870 c8h6 ethynylbenzene,v16 8206.8850 0.045 1.12 Catalog
97 8207.0747 52.411 c7h6o benzaldehyde 8207.0736 -0.001 0.55 Catalog
98 8208.7555 8.628 c8h6 ethynylbenzene,v23 8208.7896 0.034 1.12 Catalog
99 8215.5055 21.618 c5h4o (E)-pent-2-en-4-ynal (anti) 8215.5100 0.004 1.59 Catalog
100 8218.8979 23.028 c6h6 (2E)-hexa-1,3-dien-5-yne (anti) 8218.9007 0.003 1.39 Catalog
101 8273.1639 23.751 c5h4o pent-4-en-2-ynal (syn) 8273.1564 -0.007 0.55 Catalog
102 8276.9688 40.607 c5h4o pent-4-en-2-ynal (syn) 8276.9887 0.020 2.94 Catalog
874 8281.7800 10.510 c8h6 ethynylbenzene,v23 8281.8024 0.022 1.12 Catalog
875 8282.7600 7.920 c7h5n benzonitrile 8282.7532 -0.007 1.12 Catalog
876 8284.1800 7.610 c7h5n benzonitrile 8284.1150 -0.065 1.12 Catalog
877 8284.9800 10.760 c7h5n benzonitrile 8284.8719 -0.108 1.12 Catalog
103 8303.3564 262.992 c5h4o (E)-pent-2-en-4-ynal (anti) 8303.3540 -0.002 0.55 Catalog
104 8304.6747 10.013 c4h4o but-2-ynal 8304.6892 0.015 0.42 Catalog
105 8306.8017 8.235 c7h6o benzaldehyde 8306.8568 0.055 1.07 Catalog
106 8321.1327 7.826 c4h5n (2Z)-penta-2,4-dienenitrile (syn) 8321.0839 -0.049 1.38 Catalog
107 8326.8377 26.815 c6h6 (2E)-hexa-1,3-dien-5-yne (anti) 8326.8373 -0.000 0.56 Catalog
878 8351.4700 16.540 c6h5o λ1-oxidanylbenzene (radical) 8351.4700 0.000 0.00 Line file
879 8352.0000 14.860 c6h5o λ1-oxidanylbenzene (radical) 8352.0000 0.000 0.00 Line file
880 8352.8900 13.664 c6h5o λ1-oxidanylbenzene (radical) 8352.8900 0.000 0.00 Line file
881 8353.5100 7.520 c6h5o λ1-oxidanylbenzene (radical) 8353.5100 0.000 0.00 Line file
108 8378.9073 79.737 Artifact 8378.9062 -0.001 0.00 Artifact
109 8391.9641 59.682 c5h4o (E)-pent-2-en-4-ynal (anti) 8391.9639 -0.000 1.60 Catalog
110 8406.6098 7.022 c7h6o benzaldehyde 8406.6444 0.035 1.07 Catalog
111 8436.0313 9.281 c6h6 (2E)-hexa-1,3-dien-5-yne (anti) 8436.0122 -0.019 1.41 Catalog
112 8445.9305 17.694 c6h6o benzenol 8445.9342 0.004 1.99 Catalog
113 8487.6207 9.407 c5h4o (Z)-pent-2-en-4-ynal (anti) 8487.6180 -0.003 0.65 Catalog
114 8495.1726 10.830 c6h6o (2E)-hexa-2,4,5-trienal 8495.0867 -0.086 1.51 Catalog
115 8509.8423 59.783 c10h6 buta-1,3-diynylbenzene 8509.8455 0.003 1.45 Catalog
116 8513.0080 60.907 c4h6o (E)-but-2-enal (anti) 8513.0166 0.009 0.43 Catalog
882 8513.2400 15.170 cxhxo umol-1313 8513.1859 -0.054 0.71 Catalog
117 8565.3407 18.855 c7h6o 6-methylidenecyclohexa-2,4-dien-1-one 8565.3072 -0.034 0.48 Catalog
883 8565.5100 16.790 c5h2o penta-1,4-diyn-3-one 8565.4793 -0.031 0.29 Catalog
118 8570.1623 53.725 c6h6o (2E)-hexa-2,4,5-trienal 8570.1651 0.003 0.86 Catalog
119 8586.2476 13.908 c6h6o (2E)-hexa-2,4,5-trienal, ve1 8586.2457 -0.002 0.00 Line file
120 8602.9131 10.766 c4h2o buta-1,2,3-trien-1-one 8602.8993 -0.014 10.37 Catalog
121 8605.1749 11.515 c6h6o cyclohexa-2,5-dien-1-one (13C4) 8605.1314 -0.043 0.43 Catalog
122 8608.0235 32.977 c6h6o benzenol 8608.0293 0.006 1.37 Catalog
884 8632.8000 19.870 Artifact 8632.8125 0.013 0.00 Artifact
885 8634.4900 7.990 cxhxo umol-1297 8634.4797 -0.010 0.64 Catalog
123 8641.4716 10.031 c6h6o cyclohexa-2,4-dien-1-one 8641.3563 -0.115 3.77 Catalog
124 8645.1530 54.473 c3h2o propa-1,2-dien-1-one 8645.1521 -0.001 0.29 Catalog
886 8646.4900 11.240 c6h6o (2E)-hexa-2,4,5-trienal 8646.4847 -0.005 1.53 Catalog
125 8647.3978 21.360 c3h4o prop-2-enal (anti) (13C1) 8647.4339 0.036 0.29 Catalog
126 8662.4118 19.497 c6h6o cyclohexa-2,5-dien-1-one (13C3) 8662.4157 0.004 0.44 Catalog
127 8679.4624 58.904 c6h6o cyclohexa-2,4-dien-1-one (13C1) 8679.4932 0.031 3.12 Catalog
128 8681.4642 43.826 c6h6o cyclohexa-2,5-dien-1-one 8681.4694 0.005 1.72 Catalog
129 8683.6470 32.367 c8h6 ethynylbenzene,v23 8683.6443 -0.003 0.72 Catalog
887 8690.1300 6.220 c6h6o cyclohexa-2,4-dien-1-one (13C4) 8690.1037 -0.026 0.44 Catalog
130 8693.8327 36.186 c10h6 buta-1,3-diynylbenzene 8693.8335 0.001 1.31 Catalog
131 8700.2866 12.349 c6h6o cyclohexa-2,4-dien-1-one (13C2) 8700.2871 0.001 0.44 Catalog
132 8702.0481 9.183 c6h6o cyclohexa-2,5-dien-1-one (13C2) 8701.9789 -0.069 0.44 Catalog
133 8719.9344 15.021 c6h6o benzenol 8719.9349 0.001 1.37 Catalog
134 8722.4626 27.153 c10h6 buta-1,3-diynylbenzene 8722.4558 -0.007 1.99 Catalog
135 8732.0551 7.314 c6h6o cyclohexa-2,5-dien-1-one ,v19 8732.0752 0.020 0.44 Catalog
136 8733.6169 671.261 c6h6o cyclohexa-2,5-dien-1-one 8733.6153 -0.002 0.44 Catalog
137 8739.5876 10.642 c6h6o cyclohexa-2,4-dien-1-one (13C1) 8739.8302 0.243 0.44 Catalog
888 8739.8300 8.730 c6h6o cyclohexa-2,4-dien-1-one (13C1) 8739.8302 0.000 0.44 Catalog
890 8740.5300 6.220 c6h6o cyclohexa-2,5-dien-1-one ,v22 8740.5070 -0.023 0.44 Catalog
138 8756.0480 19.759 c10h6 buta-1,3-diynylbenzene 8756.0468 -0.001 2.00 Catalog
139 8770.0957 6.328 c7h5n benzonitrile 8770.1669 0.071 0.73 Catalog
140 8772.8433 1016.493 c6h6o cyclohexa-2,4-dien-1-one 8772.8420 -0.001 0.44 Catalog
889 8773.8700 6.700 c7h5n benzonitrile, v21 8773.8750 0.005 0.73 Catalog
141 8794.7077 45.042 c5h6 (E)-3-penten-1-yne, A state 8794.7050 -0.003 0.44 Catalog
142 8827.7104 86.719 c6h6o cyclohexa-2,4-dien-1-one 8827.7062 -0.004 1.72 Catalog
143 8829.9543 42.163 c7h6o benzaldehyde 8829.9381 -0.016 0.72 Catalog
891 8847.6400 8.380 c7h6o cyclohepta-2,4,6-trien-1-one 8847.5995 -0.040 0.66 Catalog
892 8848.4400 7.740 c7h6o benzaldehyde 8848.4088 -0.031 0.39 Catalog
144 8851.0517 10.002 c7h6o 4-ethenylidene-cyclopent-2-en-1-one 8851.1049 0.053 0.91 Catalog
893 8863.8200 8.470 c7h2o hepta-2,4,6-triynal 8863.8658 0.046 1.33 Catalog
145 8864.1787 20.912 c3h4o prop-2-enal (anti) (13C2) 8864.1801 0.001 0.30 Catalog
146 8870.5707 16.025 c3h4o prop-2-enal (anti) (13C3) 8870.5740 0.003 0.30 Catalog
147 8875.3847 10.248 c3h4o 2-propenal (anti), ve2 8875.3826 -0.002 0.30 Catalog
148 8886.7135 32.159 Artifact 8886.7188 0.005 0.00 Artifact
149 8892.5350 44.133 c3h4o 2-propenal (anti), ve1 8892.5342 -0.001 0.30 Catalog
150 8899.8139 16.988 c5h6o 1,3-pentadien-5-al 8899.8057 -0.008 1.05 Catalog
151 8902.1840 878.881 c3h4o 2-propenal (anti) 8902.1852 0.001 0.30 Catalog
152 8928.8893 30.355 c10h6 buta-1,3-diynylbenzene 8928.8855 -0.004 1.51 Catalog
153 8932.0890 8.195 c4h2 butatrienylidene 8931.9228 -0.166 0.30 Catalog
154 8984.2819 7.540 c4h5n (E)-but-2-enenitrile, A state 8984.3772 0.095 0.45 Catalog
155 9027.7323 27.554 c3h2o prop-2-ynal (13C3) 9027.7326 0.000 0.30 Catalog
156 9041.3723 9.001 c5h3n (Z)-pent-2-en-4-ynenitrile 9041.1287 -0.244 0.30 Catalog
157 9057.8896 8.181 c6h6o benzenol 9057.9201 0.030 1.71 Catalog
158 9062.2152 12.199 c3ho penta-1,2-dien-1-one-3-yl radical 9062.2025 -0.013 0.30 Catalog
159 9074.7112 132.694 c4h4 but-1-en-3-yne 9074.7083 -0.003 0.30 Catalog
894 9077.6000 15.530 c6h5o λ1-oxidanylbenzene (radical) 9077.6000 0.000 0.00 Line file
895 9078.2200 18.520 c6h5o λ1-oxidanylbenzene (radical) 9078.2200 0.000 0.00 Line file
896 9078.4900 17.320 c6h5o λ1-oxidanylbenzene (radical) 9078.4000 -0.090 0.00 Line file
897 9082.0400 10.870 c6h5o λ1-oxidanylbenzene (radical) 9082.1300 0.090 0.00 Line file
898 9082.5800 10.970 c6h5o λ1-oxidanylbenzene (radical) 9082.5800 0.000 0.00 Line file
899 9083.5600 9.260 c6h5o λ1-oxidanylbenzene (radical) 9083.4700 -0.090 0.00 Line file
160 9097.0349 6.855 c3hn prop-2-ynenitrile 9097.0361 0.001 0.30 Catalog
161 9098.3458 10.964 c3hn prop-2-ynenitrile 9098.3317 -0.014 0.30 Catalog
162 9105.3064 9.205 c4ho buta-1,2,3-trien-1-one-4-yl 9105.3117 0.005 0.45 Catalog
163 9106.7495 6.533 c4ho buta-1,2,3-trien-1-one-4-yl 9106.7426 -0.007 0.45 Catalog
164 9118.8285 6.654 c12h6 hexa-1,3,5-triynylbenzene 9119.0346 0.206 4.36 Catalog
165 9123.1182 75.114 c5h6o 1,3-pentadien-5-al 9123.1196 0.001 0.61 Catalog
900 9133.9600 6.160 c4ho buta-1,2,3-trien-1-one-4-yl 9133.9517 -0.008 0.46 Catalog
166 9136.2346 6.242 c4ho buta-1,2,3-trien-1-one-4-yl 9136.2141 -0.020 0.46 Catalog
167 9140.6264 14.452 Artifact 9140.6250 -0.001 0.00 Artifact
168 9169.8884 13.712 c6h6o benzenol 9169.8801 -0.008 1.71 Catalog
901 9180.0000 8.379 c5h4o pent-1-en-4-yn-3-one (anti) 9180.0207 0.021 0.54 Catalog
169 9185.9863 24.528 c6h6o benzenol 9185.9873 0.001 0.91 Catalog
170 9191.6766 11.472 c5h6o (2E)-2,4-pentadienal (syn) 9191.6685 -0.008 0.61 Catalog
171 9194.4721 32.646 c7h6o 4-ethenylidene-cyclopent-2-en-1-one 9194.4585 -0.014 0.77 Catalog
172 9220.1270 8.433 cxhyo super3 9220.1155 -0.012 0.42 Catalog
902 9228.4400 6.840 c7h4 hepta-1,2-dien-4,6-diyne 9228.4526 0.013 0.92 Catalog
173 9278.7903 45.657 c3h2o prop-2-ynal (13C1) 9278.7896 -0.001 0.31 Catalog
174 9281.5350 56.078 c3h2o prop-2-ynal (13C2) 9281.5330 -0.002 0.31 Catalog
175 9282.7055 29.286 c5h4o pent-2-en-4-ynal 9282.7030 -0.002 0.62 Catalog
176 9297.4716 31.630 c4h4o 1,3-butene-4-one (anti) 9297.4752 0.004 0.47 Catalog
903 9297.8700 12.660 c6h6o benzenol 9297.8906 0.021 0.91 Catalog
177 9325.8126 1603.769 c3h2o prop-2-ynal 9325.8086 -0.004 0.31 Catalog
178 9346.1376 7.263 cxhxo umol-1313 9346.1493 0.012 1.02 Catalog
179 9355.0616 25.929 c5h6o 1,3-pentadien-5-al 9355.0590 -0.003 1.08 Catalog
180 9356.4746 7.329 c7h6o cyclohepta-2,4,6-trien-1-one 9356.5258 0.051 0.64 Catalog
904 9369.4200 8.560 cxhy umol-1850 9369.3731 -0.047 1.41 Catalog
181 9376.9944 19.469 c5h4o2 pyran-2-one 9376.9994 0.005 0.47 Catalog
182 9388.0673 57.382 c4h4o c4h4o-isomer4 9388.0694 0.002 0.47 Catalog
183 9394.5310 16.424 Artifact 9394.5312 0.000 0.00 Artifact
184 9447.9349 11.458 c7h6o 6-methylidenecyclohexa-2,4-dien-1-one 9447.9425 0.008 0.69 Catalog
905 9451.2000 6.840 c5h4o pent-2-en-4-ynal 9451.2147 0.015 1.30 Catalog
185 9475.9518 6.110 Artifact 9475.9518 0.000 0.00 Artifact
186 9485.2228 14.083 c3h4n prop-2-enenitrile 9485.2231 0.000 0.32 Catalog
187 9508.7588 16.605 c4h4o c4h4o-isomer4 9508.7446 -0.014 1.56 Catalog
188 9527.3558 11.323 c3h2o2 3-oxoprop-2-enal (anti) 9527.3586 0.003 1.79 Catalog
189 9548.9258 6.018 Artifact 9548.9258 -0.000 0.00 Artifact
190 9566.0823 21.989 c7h6o 6-methylidenecyclohexa-2,4-dien-1-one 9566.0804 -0.002 0.69 Catalog
191 9571.1782 41.862 c10h6 buta-1,3-diynylbenzene 9571.1787 0.001 1.77 Catalog
192 9586.5618 13.714 cxhxo umol-1313 9586.5732 0.011 1.03 Catalog
193 9621.7829 95.840 c3o 3-oxo-1,2-propadienylidene 9621.7696 -0.013 0.32 Catalog
194 9625.0091 6.708 c7h6o 4-ethenylidene-cyclopent-2-en-1-one 9625.0166 0.008 0.97 Catalog
195 9645.1886 8.218 c6h6 (2Z)-hexa-1,3-dien-5-yne (anti) 9645.3271 0.139 1.53 Catalog
196 9648.6375 7.249 Artifact 9648.4375 -0.200 0.00 Artifact
197 9667.7242 69.916 c3h2o2 3-oxoprop-2-enal (anti) 9667.7219 -0.002 0.48 Catalog
198 9715.7756 13.242 c6h6o cyclohexa-2,4-dien-1-one (13C3) 9715.7888 0.013 0.58 Catalog
199 9734.6831 30.172 cxhyo super3 9734.6813 -0.002 0.00 Line file
200 9748.5338 8.143 c6h6o cyclohexa-2,5-dien-1-one (13C3) 9748.3932 -0.141 0.59 Catalog
201 9751.0509 9.938 c7h6 2-ethynylcyclopenta-1,3-diene 9750.9508 -0.100 0.87 Catalog
202 9770.5254 39.817 c10h6 buta-1,3-diynylbenzene 9770.5292 0.004 1.63 Catalog
203 9792.8912 20.050 c7h6 5-ethenylidenecyclopenta-1,3-diene 9792.8952 0.004 0.87 Catalog
204 9796.6150 8.834 c6h6o cyclohexa-2,4-dien-1-one (13C4) 9796.6117 -0.003 0.59 Catalog
205 9800.0631 10.260 cxhxo umol-1313 9800.0739 0.011 1.02 Catalog
206 9801.3725 6.619 c6h6o cyclohexa-2,5-dien-1-one (13C2) 9801.3567 -0.016 0.59 Catalog
207 9809.3182 8.868 c3h2o2 3-oxoprop-2-enal (anti) 9809.3063 -0.012 1.80 Catalog
208 9811.0603 33.246 c10h6 buta-1,3-diynylbenzene 9811.0522 -0.008 2.32 Catalog
906 9813.6900 8.030 c4h6o (Z)-but-2-enal (anti) 9813.6785 -0.012 0.00 Line file
209 9814.5269 468.226 c6h6o cyclohexa-2,5-dien-1-one 9814.5255 -0.001 0.59 Catalog
907 9815.2000 9.950 c6h6o cyclohexa-2,4-dien-1-one (13C2) 9815.1786 -0.021 0.59 Catalog
210 9823.3988 6.891 c6h6o cyclohexa-2,5-dien-1-one ,v22 9823.4792 0.080 0.59 Catalog
211 9830.4129 6.726 c6h6o cyclohexa-2,4-dien-1-one (13C6) 9830.3445 -0.068 0.59 Catalog
212 9837.4837 9.824 c7h6o 6-methylidenecyclohexa-2,4-dien-1-one 9837.4921 0.008 0.69 Catalog
213 9854.4054 14.961 c5h4 penta-1,2-dien-4-yne 9854.4100 0.005 1.28 Catalog
214 9858.8524 14.297 c10h6 buta-1,3-diynylbenzene 9858.8703 0.018 2.33 Catalog
908 9868.3600 7.510 c6h6o cyclohexa-2,4-dien-1-one (13C1) 9868.3864 0.026 0.59 Catalog
909 9869.0700 7.050 c6h6o cyclohexa-2,4-dien-1-one (13C5) 9869.0807 0.011 0.59 Catalog
215 9882.2215 636.103 c6h6o cyclohexa-2,4-dien-1-one 9882.2195 -0.002 0.59 Catalog
216 9898.4130 6.386 c6h6o cyclohexa-2,4-dien-1-one (13C4) 9898.4100 -0.003 3.78 Catalog
217 9955.6309 19.193 c7h6o 6-methylidenecyclohexa-2,4-dien-1-one 9955.6300 -0.001 0.69 Catalog
218 9971.8325 14.437 c7h2o hepta-2,4,6-triynal 9971.8264 -0.006 1.66 Catalog
219 9974.3699 14.293 cxhxo umol-1499 9974.3720 0.002 0.74 Catalog
220 9999.9992 35.515 Artifact 10000.0000 0.001 0.00 Artifact
910 10000.5300 6.750 c4hn cyanoprop-1,2-dien-1,3-diyl 10000.5095 -0.021 0.21 Catalog
221 10013.5139 6.065 c2hn cyanometh-1,1-diyl radical 10013.4127 -0.101 4.62 Catalog
911 10035.6400 7.520 c3h cyclopropa_1_yne_3_yl_radical 10035.3919 -0.248 9.37 Catalog
222 10040.5045 10.156 cxhxo umol-1313 10040.4978 -0.007 1.03 Catalog
223 10042.2541 41.727 c10h6 buta-1,3-diynylbenzene 10042.2552 0.001 1.85 Catalog
224 10044.7606 13.870 cxhyo super6 10044.8726 0.112 0.00 Line file
225 10056.5322 197.634 c5h4 penta-1,2-dien-4-yne 10056.5330 0.001 0.50 Catalog
226 10081.2178 11.225 cxhxo umol-1499 10081.1550 -0.063 0.00 Line file
912 10110.7600 6.970 c6h6o cyclohexa-2,4-dien-1-one 10110.8260 0.066 0.84 Catalog
227 10117.3474 12.274 c6h4 cyclohexa-1,3-dien-5-yne,2v16 10117.3454 -0.002 0.34 Catalog
228 10123.7412 8.439 c6h4 cyclohexa-1,3-dien-5-yne,v16 10123.7119 -0.029 0.34 Catalog
229 10130.0821 15.193 c6h4 cyclohexa-1,3-dien-5-yne 10130.1020 0.020 0.34 Catalog
230 10156.2525 67.561 Artifact 10156.2500 -0.003 0.00 Artifact
913 10161.2400 8.130 c4h6o (Z)-but-2-enal (anti) 10161.2188 -0.021 0.00 Line file
914 10161.6900 7.980 c4h6o (Z)-but-2-enal (anti) 10161.7165 0.026 0.51 Catalog
231 10193.9996 14.436 c6h6o (2E)-hexa-2,4,5-trienal 10193.9996 0.000 1.85 Catalog
232 10207.6962 14.662 c7h6 2-ethynylcyclopenta-1,3-diene 10207.6946 -0.002 0.68 Catalog
233 10241.5490 7.102 c5h2o penta-1,4-diyn-3-one 10241.4950 -0.054 2.23 Catalog
234 10254.4464 59.279 c8h6 ethynylbenzene 10254.4237 -0.023 1.00 Catalog
235 10257.5564 45.312 c6h6o benzenol 10257.5561 -0.000 0.86 Catalog
915 10261.4200 31.600 c8h6 ethynylbenzene,v23 10261.3835 -0.037 1.00 Catalog
916 10261.9600 38.070 c5h4 penta-1,2-dien-4-yne 10261.9969 0.037 1.30 Catalog
236 10283.8118 14.217 c6h6o (2E)-hexa-2,4,5-trienal 10283.8070 -0.005 1.20 Catalog
237 10303.3008 7.876 c6hn cyanoacetyl-cycloprop-1-ene-2,2-diyl 10303.3069 0.006 5.40 Catalog
238 10309.4764 43.569 c7h6o benzaldehyde 10309.4759 -0.001 0.99 Catalog
239 10343.3828 10.639 c7h5n benzonitrile 10343.3534 -0.029 1.01 Catalog
240 10349.9761 9.602 c7h5n benzonitrile, v21 10350.0424 0.066 1.01 Catalog
241 10369.5758 7.934 c6h6o benzenol 10369.5247 -0.051 0.86 Catalog
242 10375.8199 6.109 Artifact 10375.8200 0.000 0.00 Artifact
243 10390.5129 53.167 c5h6o (2E)-penta-2,4-dienal (anti) 10390.5086 -0.004 1.77 Catalog
244 10395.6743 20.921 c5h6o (3E)-penta-1,3-dien-1-one (anti) 10395.6785 0.004 0.87 Catalog
245 10408.8623 30.947 c6h6o cyclohexa-2,4-dien-1-one (13C2) 10408.7671 -0.095 0.50 Catalog
246 10410.1169 8.484 Artifact 10410.1562 0.039 0.00 Artifact
247 10445.7899 12.751 cxhxo umol-1499 10445.7867 -0.003 0.71 Catalog
917 10481.1600 10.000 cxhyo test11 10481.1790 0.019 0.00 Line file
248 10509.8993 100.150 c5h6o (2E)-penta-2,4-dienal (anti) 10509.8950 -0.004 0.88 Catalog
249 10530.8608 22.387 c5h2o penta-2,4-diynal 10530.8640 0.003 2.67 Catalog
250 10542.3995 11.667 c6h6o cyclohexa-2,4-dien-1-one 10542.5156 0.116 0.50 Catalog
251 10547.4912 8.374 c5h6o (2E)-penta-2,4-dienal (anti), ve 10547.4161 -0.075 0.00 Line file
252 10558.8558 14.743 c5h4o2 pyran-2-one 10558.8575 0.002 0.64 Catalog
253 10561.8502 40.289 c5h4o (Z)-pent-2-en-4-ynal (anti) 10561.8532 0.003 0.97 Catalog
254 10573.8031 27.190 c5h2o penta-1,4-diyn-3-one 10573.8032 0.000 1.55 Catalog
255 10596.0131 69.224 c5h2o penta-2,4-diynal 10596.0147 0.002 0.88 Catalog
918 10630.9300 51.910 c5h6o (2E)-penta-2,4-dienal (anti) 10630.9001 -0.030 1.79 Catalog
919 10631.7300 42.380 c10h6 buta-1,3-diynylbenzene 10631.7185 -0.011 2.12 Catalog
256 10636.7989 54.220 c6h6o 4-methylene cyclopentenone 10636.7979 -0.001 0.87 Catalog
257 10694.7964 7.219 cxhxo umol-1313 10694.6508 -0.146 1.30 Catalog
258 10738.0714 136.606 c6h4 hex-1-ene-3,5-diyne 10738.0722 0.001 0.90 Catalog
259 10740.7401 6.076 c7h6o 4-methylidenecyclohexa-2,5-dien-1-one 10740.8219 0.082 1.02 Catalog
260 10749.8141 13.716 c7h6 2-ethynylcyclopenta-1,3-diene 10749.8105 -0.004 0.94 Catalog
261 10758.9581 41.315 c8h6 ethynylbenzene 10758.9583 0.000 0.90 Catalog
262 10765.0112 15.817 c8h6 ethynylbenzene,v23 10765.0166 0.005 0.90 Catalog
263 10771.1158 6.528 c8h6 ethynylbenzene,2v23 10771.0388 -0.077 0.90 Catalog
264 10794.0510 6.131 cxhxo umol-1499 10794.1903 0.139 1.00 Catalog
265 10805.2337 18.722 c7h6 5-ethenylidenecyclopenta-1,3-diene 10805.2404 0.007 0.94 Catalog
266 10815.8561 6.034 c7h6 5-ethenylidenecyclopenta-1,3-diene,v22 10815.9817 0.126 0.94 Catalog
267 10829.6968 20.778 c6h4 hex-1-ene-3,5-diyne 10829.7035 0.007 2.21 Catalog
268 10831.4034 35.640 c7h6o benzaldehyde 10831.4029 -0.001 0.91 Catalog
269 10843.8328 20.484 c10h6 buta-1,3-diynylbenzene 10843.8360 0.003 1.99 Catalog
270 10855.2312 65.272 c7h5n benzonitrile 10855.2606 0.029 0.91 Catalog
271 10861.0155 18.339 c7h5n benzonitrile, v21 10861.0489 0.033 0.91 Catalog
272 10885.4280 41.946 c6h6 (2Z)-hexa-1,3-dien-5-yne (anti) 10885.4198 -0.008 0.73 Catalog
273 10899.0415 15.762 c10h6 buta-1,3-diynylbenzene 10899.0460 0.004 2.68 Catalog
274 10914.1109 9.403 c10h6 buta-1,3-diynylbenzene 10914.1487 0.038 4.74 Catalog
920 10917.4200 10.750 c10h6 buta-1,3-diynylbenzene 10917.4217 0.002 3.54 Catalog
275 10917.9731 19.347 Artifact 10917.9688 -0.004 0.00 Artifact
921 10918.9300 10.800 c10h6 buta-1,3-diynylbenzene 10918.9460 0.016 3.54 Catalog
276 10924.4857 79.889 c8h6 ethynylbenzene 10924.4862 0.001 1.49 Catalog
277 10927.7178 7.946 c7h4 hepta-1,2-dien-4,6-diyne 10927.6180 -0.100 0.00 Line file
278 10930.7901 27.282 c8h6 ethynylbenzene,v23 10930.7669 -0.023 1.49 Catalog
279 10934.7603 10.584 c5o 5-oxo-1,2,3,4-pentatetraenylidene 10934.7677 0.007 0.91 Catalog
280 10936.6859 11.238 c6h6o cyclohexa-2,4-dien-1-one 10936.5577 -0.128 0.87 Catalog
281 10953.9063 61.866 c5h4o (E)-pent-2-en-4-ynal (anti) 10953.9071 0.001 1.96 Catalog
282 10958.3284 17.577 c6h6 (2E)-hexa-1,3-dien-5-yne (anti) 10958.3432 0.015 1.76 Catalog
283 10960.5060 8.399 c7h6o cyclohepta-2,4,6-trien-1-one 10960.5208 0.015 0.80 Catalog
284 10964.0666 49.284 c6h6o benzenol 10964.0710 0.004 0.51 Catalog
922 10964.4400 17.400 c10h6 buta-1,3-diynylbenzene 10964.4756 0.036 2.69 Catalog
285 10966.2360 6.979 cxhxo umol-1313 10966.2226 -0.013 0.66 Catalog
286 11016.1331 9.496 c7h6o benzaldehyde 11016.1875 0.054 1.36 Catalog
287 11028.9711 26.937 c5h4o pent-4-en-2-ynal (syn) 11028.9703 -0.001 0.92 Catalog
923 11029.6000 9.850 c7h5n benzonitrile 11029.5778 -0.022 1.49 Catalog
288 11030.0248 15.451 c7h5n benzonitrile 11030.1538 0.129 1.49 Catalog
289 11033.6003 9.795 cxhxo umol-1297 11033.5500 -0.050 1.35 Catalog
290 11035.4436 9.705 c7h6o benzaldehyde 11035.4078 -0.036 0.79 Catalog
291 11043.1489 61.414 c5h4o (Z)-pent-2-en-4-ynal (anti) 11043.1453 -0.004 0.74 Catalog
292 11054.2385 11.537 c7h6o 4-ethenylidene-cyclopent-2-en-1-one 11054.2366 -0.002 1.28 Catalog
293 11064.0204 11.641 c5h6o cyclopent-2-en-1-one 11063.9996 -0.021 0.70 Catalog
924 11070.0400 14.550 c5h2o penta-1,4-diyn-3-one 11070.0357 -0.004 0.95 Catalog
294 11070.7380 93.959 c5h4o (E)-pent-2-en-4-ynal (anti) 11070.7404 0.002 0.92 Catalog
295 11076.0505 68.069 c6h6o benzenol 11076.0459 -0.005 0.52 Catalog
296 11079.7122 7.525 c7h2o hepta-2,4,6-triynal 11079.7790 0.067 2.03 Catalog
297 11086.8113 6.763 c7h5n benzonitrile 11086.7768 -0.035 2.21 Catalog
298 11087.9396 10.823 c7h6o benzaldehyde 11087.9200 -0.020 0.65 Catalog
299 11101.7130 70.136 c6h6 (2E)-hexa-1,3-dien-5-yne (anti) 11101.7128 -0.000 0.93 Catalog
300 11104.2814 23.611 c8h6 ethynylbenzene 11104.2866 0.005 1.50 Catalog
301 11110.8573 7.580 c8h6 ethynylbenzene,v23 11110.8134 -0.044 1.49 Catalog
302 11133.6633 6.981 c5h4o (Z)-pent-2-en-4-ynal (anti) 11133.7053 0.042 1.80 Catalog
303 11143.2354 286.384 c3h4o 2-propenal (syn) 11143.2345 -0.001 0.37 Catalog
304 11154.5988 20.608 c10h6 buta-1,3-diynylbenzene 11154.6011 0.002 2.22 Catalog
305 11176.9217 22.473 c5h4o pent-1-en-4-yn-3-one (anti) 11176.9241 0.002 0.56 Catalog
306 11189.1774 85.758 c5h4o (E)-pent-2-en-4-ynal (anti) 11189.1759 -0.001 1.98 Catalog
307 11219.8269 6.421 c7h5n benzonitrile 11220.0118 0.185 1.50 Catalog
308 11221.3676 33.508 cxhyo super3 11221.3751 0.007 0.00 Line file
925 11225.1600 6.320 c7h4 hepta-1,2-dien-4,6-diyne 11225.1970 0.037 1.80 Catalog
309 11228.3027 8.894 c5h4o pent-4-en-2-ynal (syn) 11228.2788 -0.024 1.53 Catalog
310 11247.8159 47.148 c6h6 (2E)-hexa-1,3-dien-5-yne (anti) 11247.8204 0.004 1.78 Catalog
311 11259.7033 19.030 c7h6o 6-methylidenecyclohexa-2,4-dien-1-one 11259.7045 0.001 0.57 Catalog
312 11263.6283 13.424 c5h2o penta-1,4-diyn-3-one 11263.6191 -0.009 1.04 Catalog
313 11269.0023 100.049 c6h6o 4-methylene cyclopentenone 11268.9987 -0.004 0.76 Catalog
314 11271.1748 6.298 c5h4o pent-1-en-4-yn-3-one (anti) 11271.2637 0.089 1.41 Catalog
315 11281.1168 8.354 cxhxo umol-1313 11281.1285 0.012 1.40 Catalog
316 11298.4701 6.760 c5h2 1-ethynyl-cycloprop-1-en-2-ylidene 11298.4728 0.003 1.69 Catalog
317 11300.5817 15.424 c7h6o benzaldehyde 11300.5833 0.002 1.45 Catalog
318 11338.0988 10.644 c7h6o 6-methylidenecyclohexa-2,4-dien-1-one 11338.0920 -0.007 0.94 Catalog
319 11399.3599 12.930 cxhxo umol-1313 11399.3636 0.004 1.41 Catalog
320 11404.9660 43.850 c5h6 (Z)-3-penten-1-yne, A state 11405.1579 0.192 0.86 Catalog
321 11436.9634 11.348 c6h6o 4-methylene cyclopentenone 11436.7918 -0.172 1.39 Catalog
322 11438.5089 19.947 c6h6 (2Z)-hexa-1,3-dien-5-yne (anti) 11438.5051 -0.004 1.02 Catalog
323 11452.9242 30.413 c7h6o 4-ethenylidene-cyclopent-2-en-1-one 11452.9181 -0.006 1.15 Catalog
324 11468.8707 14.156 cxhxo umol-1313 11468.9691 0.098 1.22 Catalog
325 11479.6320 12.596 c5h4o (Z)-pent-2-en-4-ynal (anti) 11479.6310 -0.001 0.38 Catalog
326 11483.7807 6.972 c7h6o 4-ethenylidene-cyclopent-2-en-1-one 11483.9101 0.129 0.61 Catalog
327 11488.2063 23.873 cxhxo umol-1297 11488.1977 -0.009 0.98 Catalog
328 11497.7363 25.529 cxhxo umol-1499 11497.7236 -0.013 0.84 Catalog
329 11526.0113 17.430 c6h6o benzenol 11526.0133 0.002 0.90 Catalog
926 11549.1600 11.120 c7h6o 4-ethenylidene-cyclopent-2-en-1-one 11549.1026 -0.057 1.84 Catalog
330 11549.6771 116.258 c8h6 ethynylbenzene 11549.6815 0.004 1.11 Catalog
927 11552.6200 7.900 c8h6 ethynylbenzene,v16 11552.6311 0.011 1.11 Catalog
331 11553.0632 9.795 c6h6o 4-methylene cyclopentenone 11553.2887 0.226 0.51 Catalog
928 11554.6700 52.210 cxhyo super3 11554.6619 -0.008 0.00 Line file
332 11555.2249 108.228 c8h6 ethynylbenzene,v23 11555.2192 -0.006 1.11 Catalog
333 11560.8247 16.820 c8h6 ethynylbenzene,2v23 11560.8237 -0.001 1.11 Catalog
334 11564.7254 7.732 c6h3n hexa-4,5-dien-2-ynenitrile 11564.7767 0.051 5.63 Catalog
335 11576.6770 6.529 c6h4 hexa-1,2,3-trien-5-yne 11576.6612 -0.016 1.55 Catalog
336 11592.0611 9.998 c6h6 5-ethylenecyclopenta-1,3-diene 11592.0512 -0.010 0.75 Catalog
337 11600.7173 62.123 c5h4o (Z)-pent-2-en-4-ynal (anti) 11600.7169 -0.000 1.04 Catalog
338 11604.5470 10.836 c6h6o 4-methylene cyclopentenone 11604.5884 0.041 1.40 Catalog
339 11637.9217 24.136 c6h6o benzenol 11637.9130 -0.009 0.90 Catalog
340 11639.9564 11.768 cxhxo umol-1313 11639.7875 -0.169 1.41 Catalog
341 11641.1772 18.708 c7h6o cyclohepta-2,4,6-trien-1-one 11641.1766 -0.001 1.05 Catalog
342 11657.4552 13.716 c7h6o 4-ethenylidene-cyclopent-2-en-1-one 11657.4613 0.006 1.85 Catalog
343 11665.7811 7.101 c7h6o 6-methylidenecyclohexa-2,4-dien-1-one 11665.8491 0.068 3.88 Catalog
344 11669.0475 14.451 c7h5n benzonitrile 11668.9937 -0.054 1.12 Catalog
345 11671.3099 7.085 c7h5n benzonitrile, v12 11671.0924 -0.218 3.62 Catalog
346 11679.6766 10.301 Artifact 11679.6875 0.011 0.00 Artifact
347 11689.9860 16.229 c4hn cyanoprop-1,2-dien-1,3-diyl 11689.9267 -0.059 1.55 Catalog
348 11691.4023 41.724 c10h6 buta-1,3-diynylbenzene 11691.4051 0.003 2.51 Catalog
349 11713.8153 9.767 cxhyo super3 11713.6760 -0.139 0.57 Catalog
350 11714.8881 11.032 c4hn cyanoprop-1,2-dien-1,3-diyl 11714.6743 -0.214 1.55 Catalog
351 11741.2351 60.253 c7h6o benzaldehyde 11741.2361 0.001 1.11 Catalog
352 11746.1296 9.347 cxhxo umol-1313 11746.2055 0.076 1.37 Catalog
353 11785.7701 13.892 c6h6o cyclohexa-2,5-dien-1-one (13C4) 11785.7026 -0.067 0.89 Catalog
354 11803.7345 37.259 c12h6 hexa-1,3,5-triynylbenzene 11803.8139 0.079 6.15 Catalog
355 11834.9551 13.493 c6h6o cyclohexa-2,4-dien-1-one (13C3) 11834.9493 -0.006 0.89 Catalog
356 11847.6859 13.934 c7h6o 4-methylidenecyclohexa-2,5-dien-1-one 11847.7533 0.067 1.49 Catalog
357 11864.9229 41.250 c5h6o 1,3-pentadien-5-al 11864.9272 0.004 1.44 Catalog
929 11880.1800 20.880 c6h6o cyclohexa-2,4-dien-1-one (13C4) 11880.1453 -0.035 0.89 Catalog
358 11880.4786 47.867 c6h6o cyclohexa-2,4-dien-1-one 11880.4996 0.021 0.84 Catalog
359 11891.3294 17.680 c6h6o cyclohexa-2,4-dien-1-one (13C2) 11891.3291 -0.000 0.89 Catalog
360 11892.8536 9.220 c5h4o (Z)-pent-2-en-4-ynal (anti) 11892.7606 -0.093 1.84 Catalog
361 11898.2671 14.045 c6h6o cyclohexa-2,5-dien-1-one (13C4) 11898.2690 0.002 4.82 Catalog
362 11900.5306 7.209 c6h6o cyclohexa-2,5-dien-1-one (13C1) 11900.4165 -0.114 0.90 Catalog
363 11906.9368 175.850 c5h4o cyclopenta-2,4-dien-1-one 11906.9351 -0.002 0.76 Catalog
364 11913.4688 61.554 c5h4o cyclopenta-2,4-dien-1-one, ve1 11913.4244 -0.044 0.76 Catalog
365 11927.8994 7.054 c5h6o (2E)-2,4-pentadienal (syn) 11927.8750 -0.024 1.41 Catalog
366 11932.4848 13.198 c5h 1,2,3,4-pentatetraene-1,1,5-trienyl radical 11932.4713 -0.013 0.72 Catalog
367 11933.5917 14.997 Artifact 11933.5938 0.002 0.00 Artifact
368 11936.4726 14.557 c5h 1,2,3,4-pentatetraene-1,1,5-trienyl radical 11936.4678 -0.005 0.72 Catalog
930 11941.3300 15.740 c6h6o cyclohexa-2,4-dien-1-one (13C5) 11941.2962 -0.034 0.90 Catalog
931 11942.2200 16.690 c6h6o cyclohexa-2,4-dien-1-one (13C1) 11942.1948 -0.025 0.90 Catalog
369 11946.3705 17.025 c6h6o cyclohexa-2,4-dien-1-one (13C6) 11946.3715 0.001 0.90 Catalog
932 11950.4900 7.180 c6h6o cyclohexa-2,5-dien-1-one ,v19 11950.4752 -0.015 0.90 Catalog
370 11951.0327 776.750 c6h6o cyclohexa-2,5-dien-1-one 11951.0294 -0.003 0.90 Catalog
371 11954.8600 33.783 c5h6o cyclopent-2-en-1-one 11954.8443 -0.016 0.60 Catalog
372 11961.4153 10.400 c6h6o cyclohexa-2,5-dien-1-one ,v22 11961.4139 -0.001 0.90 Catalog
373 11981.2795 8.445 c7h6o cyclohepta-2,4,6-trien-1-one 11981.2657 -0.014 1.04 Catalog
374 11986.3672 8.301 c10h6 buta-1,3-diynylbenzene 11986.3709 0.004 3.08 Catalog
375 11996.4430 1475.125 c6h6o cyclohexa-2,4-dien-1-one 11996.4426 -0.000 0.90 Catalog
933 11997.2400 21.050 c6h6o (2E)-hexa-2,4,5-trienal 11997.2355 -0.004 1.60 Catalog
376 12010.7943 7.203 c10h6 buta-1,3-diynylbenzene 12010.7064 -0.088 3.94 Catalog
377 12013.1798 7.972 c10h6 buta-1,3-diynylbenzene 12013.1810 0.001 3.94 Catalog
378 12020.3065 15.790 c7h6o 4-ethenylidene-cyclopent-2-en-1-one 12020.3180 0.012 1.38 Catalog
379 12025.5989 8.339 c5h6o cyclopent-3-en-1-one 12025.5936 -0.005 0.61 Catalog
380 12029.1351 11.236 c9h5n 3-phenylprop-2-ynenitrile 12029.1249 -0.010 3.08 Catalog
381 12040.8926 6.395 c6h4 cyclohexa-1,3-dien-5-yne 12040.8830 -0.010 5.68 Catalog
382 12060.3219 42.555 cxhyo super3 12060.3143 -0.008 0.00 Line file
383 12072.8811 13.337 c10h6 buta-1,3-diynylbenzene 12073.0443 0.163 3.09 Catalog
934 12076.7100 75.340 c5h6 (Z)-3-penten-1-yne, A state 12076.7061 -0.004 0.60 Catalog
935 12077.4200 69.120 c5h6 (Z)-3-penten-1-yne, E state 12077.4390 0.019 0.00 Line file
384 12096.8998 10.196 c7h6o 6-methylidenecyclohexa-2,4-dien-1-one 12097.0308 0.131 4.82 Catalog
385 12104.8145 20.164 c6h6o (2E)-hexa-2,4,5-trienal 12104.8105 -0.004 2.28 Catalog
386 12118.7317 30.292 cxhxo umol-1297 12118.7354 0.004 0.81 Catalog
387 12149.1269 34.791 c6h6o cyclohexa-2,5-dien-1-one 12149.1956 0.069 0.85 Catalog
936 12155.9000 15.748 c5h4o pent-2-en-4-ynal 12155.9218 0.022 1.68 Catalog
388 12158.2289 145.557 c5h6o 1,3-pentadien-5-al 12158.2261 -0.003 1.01 Catalog
389 12177.5310 11.855 cxhyo super3 12177.5330 0.002 0.56 Catalog
390 12178.5033 6.553 c8h7n 2-phenylacetonitrile 12178.3724 -0.131 2.77 Catalog
391 12183.6011 51.365 c6h6o 4-methylene cyclopentenone 12183.5980 -0.003 0.97 Catalog
392 12187.5652 10.030 Artifact 12187.5000 -0.065 0.00 Artifact
393 12214.4330 314.557 c5h4 penta-1,3-diyne 12214.4741 0.041 0.81 Catalog
394 12215.8919 10.739 c5h4 penta-1,3-diyne,1v11 12215.8905 -0.001 0.81 Catalog
937 12217.6000 10.850 c5h4 penta-1,3-diyne,ve1 12217.5977 -0.002 0.82 Catalog
395 12219.9393 11.474 c5h4 penta-1,3-diyne,1v11 12219.9227 -0.017 0.82 Catalog
396 12230.1950 19.268 c5h4 penta-1,3-diyne,1v12 12230.1897 -0.005 0.82 Catalog
397 12232.3370 16.665 c5h4 penta-1,3-diyne,ve2 12232.3010 -0.036 0.00 Line file
938 12232.9800 8.420 c5h4 penta-1,3-diyne,1v13 12232.9394 -0.041 0.82 Catalog
939 12233.6000 16.350 c4hn cyanoprop-1,2-dien-1,3-diyl 12233.3811 -0.219 2.24 Catalog
940 12234.5800 16.300 c5h4 penta-1,3-diyne,1v12 12234.5529 -0.027 0.82 Catalog
398 12235.7779 8.183 c5h4 penta-1,3-diyne,ve3 12235.6884 -0.089 0.00 Line file
399 12238.8063 8.640 c5h4 penta-1,3-diyne,1v13 12238.8061 -0.000 0.82 Catalog
941 12239.9800 8.420 c4hn cyanoprop-1,2-dien-1,3-diyl 12239.9565 -0.023 2.24 Catalog
400 12247.7539 9.503 c5h6o (2E)-2,4-pentadienal (syn) 12247.7635 0.010 1.02 Catalog
401 12256.5678 9.865 so2 so2 12256.5840 0.016 2.32 Catalog
402 12265.7747 17.426 c10h6 buta-1,3-diynylbenzene 12265.7781 0.003 2.63 Catalog
403 12290.6006 54.140 Artifact 12290.6006 -0.000 0.00 Artifact
404 12293.2492 8.224 c5h3n (Z)-pent-2-en-4-ynenitrile 12293.3098 0.061 2.64 Catalog
405 12297.5958 12.403 c7h6o 4-methylidenecyclohexa-2,5-dien-1-one 12297.5855 -0.010 1.15 Catalog
406 12314.9560 6.128 c4h5n but-3-enenitrile (cis) 12315.1020 0.146 0.88 Catalog
407 12320.6007 226.988 Artifact 12320.6007 0.000 0.00 Artifact
408 12336.5487 33.811 cxhyo super3 12336.5509 0.002 0.00 Line file
409 12353.0470 6.083 c6h6o benzenol 12353.0200 -0.027 3.26 Catalog
410 12374.7512 23.412 c5h4o pent-2-en-4-ynal 12374.7483 -0.003 1.03 Catalog
411 12394.3647 8.389 c6h5o λ1-oxidanylbenzene (radical) 12394.4000 0.035 0.00 Line file
412 12395.6683 28.078 c6h5o λ1-oxidanylbenzene (radical) 12395.6400 -0.028 0.00 Line file
942 12396.3600 8.740 c6h5o λ1-oxidanylbenzene (radical) 12396.3500 -0.010 0.00 Line file
943 12396.7100 9.960 c6h5o λ1-oxidanylbenzene (radical) 12396.7100 0.000 0.00 Line file
413 12397.0764 16.974 c6h5o λ1-oxidanylbenzene (radical) 12397.1500 0.074 0.00 Line file
944 12399.0200 9.360 c6h5o λ1-oxidanylbenzene (radical) 12399.0200 0.000 0.00 Line file
414 12399.7316 9.680 c6h5o λ1-oxidanylbenzene (radical) 12399.7300 -0.002 0.00 Line file
945 12400.2700 8.640 c6h5o λ1-oxidanylbenzene (radical) 12400.2600 -0.010 0.00 Line file
415 12401.3112 12.761 c6h5o λ1-oxidanylbenzene (radical) 12401.1600 -0.151 0.00 Line file
946 12401.9600 7.610 c6h5o λ1-oxidanylbenzene (radical) 12401.9600 0.000 0.00 Line file
416 12403.1104 31.966 c6h5o λ1-oxidanylbenzene (radical) 12403.1100 -0.000 0.00 Line file
417 12407.6780 6.724 c7h6o 6-methylidenecyclohexa-2,4-dien-1-one 12407.8755 0.198 1.11 Catalog
418 12411.2593 8.505 c6h5o λ1-oxidanylbenzene (radical) 12411.1100 -0.149 0.00 Line file
419 12437.2524 30.274 c7h6o 6-methylidenecyclohexa-2,4-dien-1-one 12437.2520 -0.000 1.11 Catalog
420 12441.4175 8.596 Artifact 12441.4062 -0.011 0.00 Artifact
421 12452.0465 6.386 c6h6o cyclohexa-2,5-dien-1-one ,v22 12452.2348 0.188 4.89 Catalog
422 12456.8388 16.332 c4h4o but-2-ynal 12456.8286 -0.010 0.83 Catalog
423 12458.5848 7.883 c6hn cyanoacetyl-cycloprop-1-ene-2,2-diyl 12458.7412 0.156 2.55 Catalog
424 12463.9652 8.887 c5h6 cyclopenta-1,3-diene 12463.9726 0.007 1.54 Catalog
425 12471.9006 63.780 c5h6o 1,3-pentadien-5-al 12471.8940 -0.007 1.49 Catalog
426 12503.1786 14.038 c6h6o cyclohexa-2,5-dien-1-one (13C4) 12503.1291 -0.050 0.85 Catalog
427 12516.7357 9.629 cxhxo umol-1313 12516.7311 -0.005 0.95 Catalog
428 12526.0108 31.708 c7h6o 6-methylidenecyclohexa-2,4-dien-1-one 12526.0134 0.003 1.11 Catalog
429 12544.9661 32.021 c6h6o cyclohexa-2,4-dien-1-one (13C3) 12544.9697 0.004 0.85 Catalog
947 12548.6200 18.170 c6h6o benzenol 12548.6194 -0.001 2.49 Catalog
430 12548.9155 112.979 c5h2o penta-1,4-diyn-3-one 12548.9217 0.006 0.58 Catalog
431 12555.0771 32.902 c6h6o cyclohexa-2,5-dien-1-one (13C3) 12554.9714 -0.106 0.86 Catalog
948 12555.3800 21.900 c7h6o 6-methylidenecyclohexa-2,4-dien-1-one 12555.3899 0.010 1.11 Catalog
432 12561.1235 12.263 c7h6o 6-methylidenecyclohexa-2,4-dien-1-one 12561.1385 0.015 4.97 Catalog
433 12575.6608 12.519 c5h6o (2E)-2,4-pentadienal (syn) 12575.6507 -0.010 0.52 Catalog
434 12580.3210 22.865 c6h6o cyclohexa-2,4-dien-1-one (13C4) 12580.3190 -0.002 0.86 Catalog
435 12581.8472 20.300 c6h6 5-ethylenecyclopenta-1,3-diene 12581.8471 -0.000 0.63 Catalog
436 12589.4293 24.464 c6h6o cyclohexa-2,4-dien-1-one (13C2) 12589.2960 -0.133 0.86 Catalog
437 12594.3842 6.908 c5h6o (2E)-2,4-pentadienal (syn) 12594.4174 0.033 1.47 Catalog
438 12600.0840 31.656 c6h6o cyclohexa-2,5-dien-1-one 12600.0914 0.007 2.50 Catalog
949 12604.7100 10.180 c4h6o (E)-but-2-enal (anti) 12604.6885 -0.021 1.86 Catalog
439 12605.4041 32.266 c6h6o cyclohexa-2,5-dien-1-one (13C2) 12605.4004 -0.004 0.86 Catalog
440 12618.7074 7.294 c6h6o cyclohexa-2,5-dien-1-one (13C1) 12618.6644 -0.043 0.86 Catalog
441 12638.0523 22.525 c6h6o cyclohexa-2,4-dien-1-one (13C5) 12638.0436 -0.009 0.86 Catalog
442 12639.4869 23.463 c6h6o cyclohexa-2,4-dien-1-one (13C1) 12639.4816 -0.005 0.86 Catalog
443 12642.5773 131.268 c6h6o cyclohexa-2,4-dien-1-one 12642.5967 0.019 1.29 Catalog
950 12643.6400 6.160 c7h6o benzaldehyde 12643.6144 -0.026 1.07 Catalog
444 12656.4139 27.156 c6h6o cyclohexa-2,4-dien-1-one (13C6) 12656.4052 -0.009 0.86 Catalog
951 12657.5100 9.080 c6h4 cis-hex-ene-diyene 12657.5190 0.009 0.57 Catalog
952 12667.5600 12.160 c6h6o cyclohexa-2,5-dien-1-one ,v19 12667.5534 -0.007 0.86 Catalog
445 12669.4732 857.580 c6h6o cyclohexa-2,5-dien-1-one 12669.4745 0.001 0.86 Catalog
446 12677.5360 45.956 c6h6o cyclohexa-2,5-dien-1-one ,v22 12677.5362 0.000 0.86 Catalog
447 12697.5541 7.879 c5h6 cyclopenta-1,3-diene 12697.5430 -0.011 0.42 Catalog
448 12706.2298 1336.894 c6h6o cyclohexa-2,4-dien-1-one 12706.2313 0.002 0.87 Catalog
449 12743.9904 11.783 c5h6o (2E)-2,4-pentadienal (syn) 12743.9965 0.006 0.73 Catalog
450 12748.3741 11.889 c7h4 hepta-1,2-dien-4,6-diyne 12748.3756 0.002 2.19 Catalog
451 12750.1850 36.779 c10h6 buta-1,3-diynylbenzene 12750.1871 0.002 2.94 Catalog
452 12760.8316 16.295 c5h4o cyclopenta-2,4-dien-1-one (13C3) 12760.8284 -0.003 0.64 Catalog
453 12764.2793 22.732 c7h6o 6-methylidenecyclohexa-2,4-dien-1-one 12764.2709 -0.008 0.58 Catalog
454 12768.7553 96.320 c4h6o (E)-but-2-enal (anti) 12768.7693 0.014 0.85 Catalog
455 12779.3241 53.860 c6h6o cyclohexa-2,4-dien-1-one 12779.3142 -0.010 2.51 Catalog
456 12787.8491 69.719 c8h6 ethynylbenzene 12787.8473 -0.002 1.43 Catalog
457 12789.4241 14.340 c7h4 hepta-1,2,3,4,5-pentaene-6-yne 12789.6199 0.196 3.85 Catalog
458 12796.5144 39.114 c8h6 ethynylbenzene,v23 12796.5128 -0.002 1.43 Catalog
459 12807.3493 16.063 c5h4o2 pyran-2-one 12807.3964 0.047 0.97 Catalog
953 12835.7300 8.300 c5h6o (3E)-penta-1,3-dien-1-one (anti) 12835.7501 0.020 2.00 Catalog
460 12836.3637 52.029 c5h6 (Z)-3-penten-1-yne, A state 12836.3650 0.001 0.93 Catalog
461 12837.5443 46.122 c5h6 (Z)-3-penten-1-yne, E state 12837.5450 0.001 0.00 Line file
462 12838.7068 16.609 c7h6o 6-methylidenecyclohexa-2,4-dien-1-one 12838.6992 -0.008 1.01 Catalog
463 12846.7086 54.339 c7h6o benzaldehyde 12846.7080 -0.001 1.42 Catalog
464 12855.6559 52.952 c6h6o benzenol 12855.6604 0.005 1.34 Catalog
465 12871.3135 96.150 c6h6o cyclohexa-2,5-dien-1-one 12871.3793 0.066 1.29 Catalog
466 12881.3345 13.876 c5h4o cyclopenta-2,4-dien-1-one (13C2) 12881.3317 -0.003 0.65 Catalog
467 12898.8727 6.313 c7h5n benzonitrile 12899.0059 0.133 1.44 Catalog
468 12904.2533 10.764 c4h2o buta-1,2,3-trien-1-one 12904.3378 0.084 10.80 Catalog
469 12916.1057 9.633 c6h5n cyclopenta-1,3-diene-1-carbonitrile 12916.1505 0.045 0.55 Catalog
954 12922.7600 11.530 c4h2o buta-1,2,3-trien-1-one 12922.7644 0.004 0.86 Catalog
470 12933.9104 12.841 cxhxo umol-1297 12933.9377 0.027 1.07 Catalog
955 12934.8400 7.370 c4h6o (E)-but-2-enal (anti) 12934.8891 0.049 1.88 Catalog
471 12936.6696 9.717 c5h4o cyclopenta-2,4-dien-1-one, ve2 12936.6602 -0.009 0.00 Line file
472 12939.3332 426.930 c5h4o cyclopenta-2,4-dien-1-one 12939.3315 -0.002 0.65 Catalog
473 12943.6720 88.360 c5h4o cyclopenta-2,4-dien-1-one, ve1 12943.6679 -0.004 0.65 Catalog
474 12945.9727 13.260 c4h2o buta-1,2,3-trien-1-one 12945.9690 -0.004 10.80 Catalog
475 12947.4850 9.281 c5h4o cyclopenta-2,4-dien-1-one, ve3 12947.5136 0.029 0.00 Line file
476 12949.2879 6.491 Artifact 12949.2188 -0.069 0.00 Artifact
477 12967.5667 35.101 c6h6o benzenol 12967.5567 -0.010 1.34 Catalog
478 12979.3436 57.493 c10h6 buta-1,3-diynylbenzene 12979.3467 0.003 2.83 Catalog
956 12987.2000 22.050 c7h6 2-ethynylcyclopenta-1,3-diene 12987.1476 -0.052 1.30 Catalog
479 12987.9451 81.292 c5h6o (2E)-penta-2,4-dienal (anti) 12987.9401 -0.005 2.20 Catalog
480 12993.4880 20.516 c5h6o (3E)-penta-1,3-dien-1-one (anti) 12993.4960 0.008 1.30 Catalog
481 12999.6372 10.922 c5h6o (2E)-2,4-pentadienal (syn) 12999.6350 -0.002 1.05 Catalog
482 13029.3998 12.060 c7h6 1-ethynylcyclopenta-1,3-diene 13029.4047 0.005 1.31 Catalog
483 13042.5009 29.213 c7h6 5-ethenylidenecyclopenta-1,3-diene 13042.5066 0.006 1.30 Catalog
484 13047.4831 12.676 c5h6 (E)-3-penten-1-yne, A state 13047.4864 0.003 2.08 Catalog
485 13048.5906 10.037 c5h6 (E)-3-penten-1-yne, E state 13048.5814 -0.009 0.00 Line file
486 13053.2553 11.390 c6h6o benzenol 13053.1501 -0.105 4.87 Catalog
487 13068.2836 8.852 c6hn cyanopenta-2,4-diyne-2,2-diyl 13068.1744 -0.109 2.01 Catalog
488 13072.9540 29.042 c10h6 buta-1,3-diynylbenzene 13072.9615 0.008 3.52 Catalog
489 13074.7056 14.799 c5h2 1-ethynyl-cycloprop-1-en-2-ylidene 13074.7056 0.000 0.65 Catalog
490 13095.6054 9.691 c7h4 hepta-1,2-dien-4,6-diyne 13095.5177 -0.088 2.24 Catalog
491 13099.2532 11.443 c10h6 buta-1,3-diynylbenzene 13099.3505 0.097 5.58 Catalog
492 13101.2992 15.791 cxhyo test11 13101.2949 -0.004 0.00 Line file
493 13104.4310 7.841 c10h6 buta-1,3-diynylbenzene 13104.3406 -0.090 4.38 Catalog
494 13108.1867 8.710 c10h6 buta-1,3-diynylbenzene 13108.1850 -0.002 4.38 Catalog
495 13116.2529 6.088 c7h 1,2,3,4,5,6-heptahexaene-1,1,7-trienyl radical 13116.4144 0.161 1.84 Catalog
496 13134.4951 10.596 cxhxo umol-1313 13134.5149 0.020 1.84 Catalog
497 13136.6095 257.080 c5h6o (2E)-penta-2,4-dienal (anti) 13136.6104 0.001 1.31 Catalog
957 13159.0200 14.480 c6h5o λ1-oxidanylbenzene (radical) 13159.0200 0.000 0.00 Line file
498 13159.4622 43.376 c6h5o λ1-oxidanylbenzene (radical) 13159.2900 -0.172 0.00 Line file
958 13159.8200 17.750 c6h5o λ1-oxidanylbenzene (radical) 13159.8200 0.000 0.00 Line file
959 13160.1800 11.720 c6h5o λ1-oxidanylbenzene (radical) 13160.1800 0.000 0.00 Line file
960 13163.5600 9.800 c5h2o penta-2,4-diynal 13163.5346 -0.025 3.11 Catalog
961 13164.8900 10.170 c6h5o λ1-oxidanylbenzene (radical) 13164.8900 0.000 0.00 Line file
962 13165.5100 12.220 c6h5o λ1-oxidanylbenzene (radical) 13165.5100 0.000 0.00 Line file
963 13166.1300 14.540 c6h5o λ1-oxidanylbenzene (radical) 13166.1300 0.000 0.00 Line file
964 13183.6400 6.230 c5h6o (2E)-penta-2,4-dienal (anti), ve 13183.6142 -0.026 0.00 Line file
499 13184.6949 27.949 c10h6 buta-1,3-diynylbenzene 13184.6926 -0.002 3.53 Catalog
965 13189.7800 9.470 cxhxo umol-1313 13189.7803 0.000 1.85 Catalog
500 13190.1963 17.111 c7h6o benzaldehyde 13190.3222 0.126 0.99 Catalog
501 13191.5695 229.374 c5h6 (E)-3-penten-1-yne, A state 13191.5599 -0.010 0.88 Catalog
502 13213.6763 29.374 cxhxo umol-1499 13213.6703 -0.006 1.18 Catalog
503 13218.1849 8.856 c7h6o cyclohepta-2,4,6-trien-1-one 13218.1941 0.009 1.38 Catalog
504 13244.8917 267.780 c5h2o penta-2,4-diynal 13244.8883 -0.003 1.33 Catalog
505 13251.5497 63.292 c5h6o cyclopent-2-en-1-one 13251.5733 0.024 0.81 Catalog
966 13252.7100 8.410 cxhxo umol-1313 13252.7501 0.040 1.84 Catalog
506 13258.7899 6.561 c6h6o cyclohexa-2,4-dien-1-one (13C3) 13258.9385 0.149 1.28 Catalog
507 13288.4318 97.506 c5h6o (2E)-penta-2,4-dienal (anti) 13288.4280 -0.004 2.23 Catalog
508 13291.5514 14.133 c6h6o cyclohexa-2,5-dien-1-one (13C3) 13291.5543 0.003 1.28 Catalog
509 13295.6819 10.396 c7h2o hepta-2,4,6-triynal 13295.6569 -0.025 2.88 Catalog
510 13309.3458 33.300 c6h4 hex-1-ene-3,5-diyne 13309.3541 0.008 2.63 Catalog
511 13313.3549 10.244 c5hn penta-2,4-diynenitrile 13313.3337 -0.021 1.33 Catalog
512 13323.4111 117.761 c8h6 ethynylbenzene 13323.4061 -0.005 1.35 Catalog
513 13327.8125 30.218 c5h2o penta-2,4-diynal 13327.8140 0.001 3.13 Catalog
514 13330.8485 31.216 c8h6 ethynylbenzene,v23 13330.8541 0.006 1.35 Catalog
967 13336.0900 9.650 c5h6 (E)-3-penten-1-yne, E state 13336.0552 -0.035 0.00 Line file
515 13337.1781 13.294 c5h6 (E)-3-penten-1-yne, A state 13337.1610 -0.017 2.10 Catalog
968 13338.2200 11.950 c8h6 ethynylbenzene,2v23 13338.2515 0.032 1.35 Catalog
516 13366.7866 9.031 c6h6o cyclohexa-2,4-dien-1-one (13C2) 13366.7550 -0.032 1.27 Catalog
517 13375.1079 72.834 c7h6o benzaldehyde 13375.1068 -0.001 1.36 Catalog
969 13375.6400 20.410 c10h6 buta-1,3-diynylbenzene 13375.6309 -0.009 3.07 Catalog
518 13378.6634 9.878 c7h6o 4-methylidenecyclohexa-2,5-dien-1-one 13378.6720 0.009 1.47 Catalog
519 13386.2487 15.295 cxhxo umol-1499 13386.3362 0.087 0.65 Catalog
520 13391.6609 349.346 c6h6o cyclohexa-2,5-dien-1-one 13391.6582 -0.003 1.29 Catalog
521 13397.3420 18.474 c12h6 hexa-1,3,5-triynylbenzene 13397.5710 0.229 6.53 Catalog
970 13403.2000 11.910 c6h6o cyclohexa-2,4-dien-1-one (13C6) 13403.1663 -0.034 1.29 Catalog
522 13403.9026 28.244 c6h6o cyclohexa-2,5-dien-1-one ,v22 13403.9038 0.001 1.29 Catalog
523 13422.2767 230.200 c6h4 hex-1-ene-3,5-diyne 13422.2736 -0.003 1.34 Catalog
524 13433.5242 8.757 c6h6o cyclohexa-2,4-dien-1-one (13C5) 13433.6178 0.094 1.27 Catalog
525 13437.3871 33.449 c7h5n benzonitrile 13437.3753 -0.012 1.36 Catalog
971 13444.6200 6.650 c7h5n benzonitrile, v21 13444.6174 -0.003 1.36 Catalog
526 13454.8645 9.388 cxhxo umol-1313 13454.8527 -0.012 1.67 Catalog
527 13457.0341 18.510 Artifact 13457.0312 -0.003 0.00 Artifact
528 13468.3312 572.629 c6h6o cyclohexa-2,4-dien-1-one 13468.3284 -0.003 1.29 Catalog
529 13476.9683 7.136 c4h5n (E)-but-2-enenitrile, A state 13477.1400 0.172 5.67 Catalog
530 13489.0063 10.828 c5h2o penta-1,4-diyn-3-one 13489.0026 -0.004 2.75 Catalog
531 13501.2672 61.589 cxhxo umol-2431 13501.2694 0.002 0.00 Line file
972 13520.1800 8.330 cxhyn umol-2144 13520.1234 -0.057 1.45 Catalog
532 13533.1954 11.112 c5h4o pent-4-en-2-ynal (syn) 13533.1027 -0.093 9.57 Catalog
533 13537.0336 29.538 c6h4 hex-1-ene-3,5-diyne 13537.0339 0.000 2.66 Catalog
534 13551.9658 9.594 c7h6 2-ethynylcyclopenta-1,3-diene 13551.9681 0.002 1.13 Catalog
535 13563.9784 6.650 c6h6o cyclohexa-2,4-dien-1-one 13563.9341 -0.044 1.88 Catalog
536 13591.6505 41.885 c6h6o (2E)-hexa-2,4,5-trienal 13591.6459 -0.005 2.70 Catalog
537 13595.1998 40.984 c5h4o2 pyran-2-one 13595.1987 -0.001 0.93 Catalog
538 13612.0815 18.417 c7h6 5-ethenylidenecyclopenta-1,3-diene 13612.1734 0.092 1.14 Catalog
539 13624.7695 10.638 c7h6 5-ethenylidenecyclopenta-1,3-diene,v22 13624.8328 0.063 1.14 Catalog
540 13632.7193 54.577 c8h6 ethynylbenzene 13632.7240 0.005 1.94 Catalog
973 13637.5100 7.050 c8h6 ethynylbenzene,v16 13637.4773 -0.033 1.94 Catalog
541 13640.5422 23.587 c8h6 ethynylbenzene,v23 13640.5423 0.000 1.94 Catalog
542 13645.3748 6.155 cxhxo umol-1313 13645.4017 0.027 2.07 Catalog
543 13648.2841 8.707 c8h6 ethynylbenzene,2v23 13648.4004 0.116 1.94 Catalog
974 13663.2900 24.220 c4ho buta-1,2,3-trien-1-one-4-yl 13663.2485 -0.042 0.91 Catalog
544 13663.6151 40.140 c4ho buta-1,2,3-trien-1-one-4-yl 13663.7397 0.125 0.91 Catalog
975 13667.8200 10.420 c7h6 2-ethynylcyclopenta-1,3-diene 13667.8175 -0.003 2.01 Catalog
976 13668.4400 12.880 c5o 5-oxo-1,2,3,4-pentatetraenylidene 13668.4534 0.013 1.37 Catalog
977 13686.3100 7.550 c7h6o 4-ethenylidene-cyclopent-2-en-1-one 13686.2862 -0.024 1.61 Catalog
545 13692.2087 22.005 c5h4o (E)-pent-2-en-4-ynal (anti) 13692.2133 0.005 2.41 Catalog
546 13695.0617 11.096 c4ho buta-1,2,3-trien-1-one-4-yl 13695.0769 0.015 0.91 Catalog
547 13696.1818 19.255 c4ho buta-1,2,3-trien-1-one-4-yl 13696.1825 0.001 0.91 Catalog
548 13697.6111 19.001 c6h6 (2E)-hexa-1,3-dien-5-yne (anti) 13697.6226 0.012 2.21 Catalog
549 13705.2407 6.020 c5h4o pent-2-en-4-ynal 13705.1951 -0.046 0.77 Catalog
550 13710.4133 17.295 c6h6o (2E)-hexa-2,4,5-trienal 13710.4154 0.002 2.06 Catalog
551 13712.8541 6.003 c6h5n cyclopenta-1,3-diene-1-carbonitrile 13712.9087 0.055 1.15 Catalog
552 13727.7876 14.885 c4h4o 1,4-epoxybuta-1,3-diene 1-oxacyclopenta-2,4-diene 13727.6975 -0.090 1.70 Catalog
978 13729.8700 13.500 c8h6 ethynylbenzene 13729.8304 -0.040 2.67 Catalog
553 13732.7523 11.325 c7h6 5-ethenylidenecyclopenta-1,3-diene 13732.7517 -0.001 2.01 Catalog
554 13735.9602 6.995 c6h6o (2E)-hexa-2,4,5-trienal, ve1 13736.0569 0.097 0.00 Line file
979 13737.6900 18.990 c8h6 ethynylbenzene,v23 13737.7765 0.086 2.66 Catalog
555 13738.7113 29.758 c7h6 1-ethynylcyclopenta-1,3-diene 13738.5069 -0.204 3.14 Catalog
556 13741.3375 20.462 c4h4o 1,3-butene-4-one (anti) 13741.3441 0.007 2.16 Catalog
557 13743.1870 19.491 c8h6 ethynylbenzene 13743.3367 0.150 2.67 Catalog
558 13745.7914 48.192 c5h2o penta-1,4-diyn-3-one 13745.7920 0.001 1.04 Catalog
559 13748.0338 8.910 c8h6 ethynylbenzene,v16 13747.9495 -0.084 2.67 Catalog
560 13749.5132 11.168 c6h5n cyclopenta-2,4-diene-1-carbonitrile 13749.5467 0.033 1.15 Catalog
561 13751.3267 8.675 c8h6 ethynylbenzene,v23 13751.3368 0.010 2.66 Catalog
562 13755.8699 21.385 cxhxo umol-1297 13755.8720 0.002 0.59 Catalog
563 13763.3462 14.371 c7h5n benzonitrile 13763.3983 0.052 1.95 Catalog
564 13766.1803 11.051 c6h6o cyclohexa-2,4-dien-1-one 13766.1163 -0.064 0.90 Catalog
565 13771.7772 6.536 c5h2 pentatetraenylidene 13771.7539 -0.023 0.92 Catalog
566 13783.1498 16.550 c5h4o pent-4-en-2-ynal (syn) 13783.1527 0.003 1.38 Catalog
567 13788.8973 27.696 c7h6o benzaldehyde 13788.8789 -0.018 1.90 Catalog
980 13792.7100 7.870 c7h6 (4Z)-hepta-1,2,4-trien-6-yne (anti) 13792.7554 0.045 1.87 Catalog
568 13799.9490 11.606 c5h2 pentatetraenylidene 13799.9475 -0.001 10.10 Catalog
569 13806.0336 19.184 cxhxo umol-1499 13806.0354 0.002 0.64 Catalog
570 13807.8402 8.053 c10h6 buta-1,3-diynylbenzene 13808.0217 0.181 3.40 Catalog
981 13813.3300 6.520 c4hn cyanoprop-1,2-dien-1,3-diyl 13813.1447 -0.185 1.22 Catalog
571 13825.2782 8.140 c7h6 1-ethynylcyclopenta-1,3-diene 13825.2890 0.011 2.04 Catalog
572 13831.6607 9.770 c5h4n buta-2,3-dien-1-imine (syn) 13831.6754 0.015 0.92 Catalog
573 13833.8756 11.612 c6h6o (2E)-hexa-2,4,5-trienal 13833.8772 0.002 2.74 Catalog
574 13837.7850 357.512 c5h4o (E)-pent-2-en-4-ynal (anti) 13837.7854 0.000 1.38 Catalog
575 13848.8639 9.373 c7h6o 4-ethenylidene-cyclopent-2-en-1-one 13848.8758 0.012 2.30 Catalog
576 13863.6094 6.547 c7h6 5-ethenylidenecyclopenta-1,3-diene 13863.7026 0.093 2.01 Catalog
577 13865.7557 13.138 c6h6 (2Z)-hexa-1,3-dien-5-yne (anti) 13865.7300 -0.026 1.42 Catalog
578 13875.9542 58.233 c6h6 (2E)-hexa-1,3-dien-5-yne (anti) 13875.9567 0.002 1.39 Catalog
579 13902.3497 13.505 c4h4o c4h4o-isomer4 13902.3554 0.006 2.01 Catalog
982 13916.7100 9.770 c6ho hexa-3,5-diyne-1-ene-1-one-2-yl 13916.7485 0.039 2.16 Catalog
580 13918.6685 7.398 c7h6o 4-methylidenecyclohexa-2,5-dien-1-one 13918.7128 0.044 1.42 Catalog
983 13920.1800 6.720 c7h6o benzaldehyde 13920.1747 -0.005 2.55 Catalog
984 13943.1100 21.880 c7h6o benzaldehyde 13943.0985 -0.012 2.55 Catalog
581 13945.2451 75.275 c4h4o 1,3-butene-4-one (anti) 13945.2438 -0.001 0.93 Catalog
582 13964.8530 17.491 Artifact 13964.8438 -0.009 0.00 Artifact
583 13972.8875 10.304 c6h6o cyclohexa-2,4-dien-1-one (13C3) 13972.9106 0.023 1.31 Catalog
584 13982.6358 35.942 c8h6 ethynylbenzene 13982.6305 -0.005 1.96 Catalog
985 13985.4200 6.280 c7h6o 6-methylidenecyclohexa-2,4-dien-1-one 13985.4445 0.024 1.41 Catalog
585 13986.2902 67.079 c5h4o (E)-pent-2-en-4-ynal (anti) 13986.2940 0.004 2.44 Catalog
586 13990.8856 15.037 c8h6 ethynylbenzene,v23 13990.8839 -0.002 1.96 Catalog
587 14028.1816 9.659 c6h6o cyclohexa-2,5-dien-1-one (13C3) 14028.1417 -0.040 1.31 Catalog
588 14032.5061 11.536 c7h6o 6-methylidenecyclohexa-2,4-dien-1-one 14032.4893 -0.017 0.94 Catalog
589 14041.2519 21.563 c10h6 buta-1,3-diynylbenzene 14041.2574 0.006 3.29 Catalog
590 14058.2500 6.785 c4h5n (2Z)-penta-2,4-dienenitrile (syn) 14058.2699 0.020 4.72 Catalog
591 14059.4626 62.324 c6h6 (2E)-hexa-1,3-dien-5-yne (anti) 14059.4601 -0.002 2.25 Catalog
592 14069.7560 96.789 c5h4o (Z)-pent-2-en-4-ynal (anti) 14069.7518 -0.004 1.44 Catalog
593 14081.2525 84.963 c4h4o c4h4o-isomer4 14081.2442 -0.008 0.94 Catalog
594 14085.3940 18.655 cxhyo super3 14085.3988 0.005 0.00 Line file
986 14105.7780 4.960 c3h2o cycloprop-2-en-1-one 14105.7289 -0.049 0.47 Catalog
595 14106.5731 34.333 c6h6o cyclohexa-2,4-dien-1-one 14106.5805 0.007 1.88 Catalog
596 14113.8460 267.017 c6h6o cyclohexa-2,5-dien-1-one 14113.8472 0.001 1.32 Catalog
597 14115.5976 16.757 c5h4o pent-1-en-4-yn-3-one (anti) 14115.6019 0.004 1.03 Catalog
598 14124.8814 11.372 c6h6o cyclohexa-2,4-dien-1-one (13C2) 14124.9878 0.106 8.83 Catalog
599 14130.2740 20.446 c6h6o cyclohexa-2,5-dien-1-one ,v22 14130.2748 0.001 1.32 Catalog
600 14132.1248 13.782 c7h5n benzonitrile 14132.2509 0.126 1.97 Catalog
601 14137.7396 55.713 c6h6o 4-methylene cyclopentenone 14137.7363 -0.003 1.34 Catalog
602 14139.0083 10.880 c7h6o 4-ethenylidene-cyclopent-2-en-1-one 14139.1641 0.156 1.85 Catalog
603 14144.2258 10.536 c6h6o cyclohexa-2,4-dien-1-one (13C2) 14144.2169 -0.009 1.31 Catalog
604 14149.9247 7.839 c6h6o cyclohexa-2,4-dien-1-one (13C6) 14149.9305 0.006 1.32 Catalog
987 14152.0900 6.670 c4h4o 1,3-butene-4-one (anti) 14152.1081 0.018 2.18 Catalog
605 14158.7613 22.153 c7h6o 6-methylidenecyclohexa-2,4-dien-1-one 14158.6676 -0.094 4.35 Catalog
606 14179.6317 22.931 cxhyo super3 14179.6253 -0.006 0.00 Line file
607 14185.6683 7.218 cxhxo umol-1313 14185.4722 -0.196 1.85 Catalog
608 14191.6176 36.021 c6h6o benzenol 14191.6179 0.000 0.91 Catalog
988 14218.7600 9.650 Artifact 14218.7500 -0.010 0.00 Artifact
609 14229.1416 6.011 c6h6o cyclohexa-2,4-dien-1-one (13C5) 14229.1955 0.054 1.31 Catalog
610 14230.4313 501.557 c6h6o cyclohexa-2,4-dien-1-one 14230.4288 -0.003 1.32 Catalog
611 14258.1623 6.427 c7h6o benzaldehyde 14258.2012 0.039 1.92 Catalog
612 14262.8836 11.708 c4h4o c4h4o-isomer4 14262.8830 -0.001 2.03 Catalog
613 14273.6198 14.385 c6h6o cyclohexa-2,5-dien-1-one 14273.6683 0.048 1.88 Catalog
614 14290.7630 15.115 c3h2o2 3-oxoprop-2-enal (anti) 14290.7726 0.010 2.27 Catalog
615 14299.4407 13.660 c10h6 buta-1,3-diynylbenzene 14299.4577 0.017 4.01 Catalog
616 14303.5897 68.724 c6h6o benzenol 14303.5885 -0.001 0.91 Catalog
617 14317.5213 10.078 c7h6 2-ethynylcyclopenta-1,3-diene 14317.5506 0.029 1.41 Catalog
618 14320.3271 6.301 cxhxo umol-1499 14320.4289 0.102 1.48 Catalog
619 14324.1415 14.455 c7h6o cyclohepta-2,4,6-trien-1-one 14324.2043 0.063 1.28 Catalog
620 14362.5856 13.038 c7h6o cyclohepta-2,4,6-trien-1-one 14362.5028 -0.083 1.53 Catalog
621 14383.1051 10.106 c5h4o2 pyran-2-one 14383.1168 0.012 1.40 Catalog
622 14390.7914 20.879 c7h6 5-ethenylidenecyclopenta-1,3-diene 14390.7915 0.000 1.42 Catalog
623 14398.2553 30.234 c8h6 ethynylbenzene 14398.2534 -0.002 1.59 Catalog
624 14405.1097 35.584 c8h6 ethynylbenzene,v23 14405.1107 0.001 1.59 Catalog
625 14407.7711 14.122 c7h6o 4-methylidenecyclohexa-2,5-dien-1-one 14407.6716 -0.100 1.95 Catalog
626 14437.3816 8.077 c6h6o cyclohexa-2,4-dien-1-one (13C3) 14437.3633 -0.018 1.07 Catalog
627 14461.5151 46.411 c6h6 (2Z)-hexa-1,3-dien-5-yne (anti) 14461.5176 0.002 1.21 Catalog
628 14469.5861 19.943 cxhyo super3 14469.5993 0.013 0.00 Line file
629 14472.6562 32.891 Artifact 14472.6562 0.000 0.00 Artifact
630 14474.4294 64.982 c5h4o cyclopenta-2,4-dien-1-one 14474.4305 0.001 0.89 Catalog
631 14476.7947 9.898 c5h4o cyclopenta-2,4-dien-1-one, ve1 14476.7784 -0.016 0.89 Catalog
632 14488.4604 7.632 ch2o formaldehyde 14488.4797 0.019 15.72 Catalog
633 14500.6011 79.146 c3h2o2 3-oxoprop-2-enal (anti) 14500.6019 0.001 0.97 Catalog
634 14509.1449 11.424 c6h6o cyclohexa-2,5-dien-1-one (13C1) 14509.1511 0.006 1.07 Catalog
635 14525.8000 9.536 c9hn nona-2,4,6,8-tetraynenitrile 14525.8620 0.062 6.30 Catalog
636 14538.5843 13.834 c7h6o cyclohepta-2,4,6-trien-1-one 14538.5972 0.013 1.52 Catalog
637 14546.4237 13.556 c6h6o cyclohexa-2,4-dien-1-one (13C4) 14546.4296 0.006 1.07 Catalog
638 14556.8894 18.038 c6h6o cyclohexa-2,5-dien-1-one (13C2) 14556.8917 0.002 1.07 Catalog
639 14571.4856 6.482 c6h6o cyclohexa-2,4-dien-1-one (13C2) 14571.5539 0.068 1.07 Catalog
640 14583.9051 314.477 c6h6o cyclohexa-2,5-dien-1-one 14583.9092 0.004 1.08 Catalog
641 14596.3135 14.321 c6h6o cyclohexa-2,5-dien-1-one ,v22 14596.3206 0.007 1.08 Catalog
642 14600.2599 6.735 c3h cyclopropa-1-yne-3-yl_radical,ve2 14600.2010 -0.059 2.60 Catalog
643 14601.7942 19.930 c6h6o cyclohexa-2,4-dien-1-one (13C6) 14601.7943 0.000 1.08 Catalog
644 14606.7292 12.128 c5h3n (E)-pent-2-en-4-ynenitrile 14606.7520 0.023 2.95 Catalog
645 14621.7214 38.389 c7h6o benzaldehyde 14621.7199 -0.002 1.60 Catalog
646 14650.7842 8.340 c6h6o benzenol 14650.7211 -0.063 1.93 Catalog
647 14671.9850 39.617 c5h4o (Z)-pent-2-en-4-ynal (anti) 14671.9761 -0.009 1.23 Catalog
648 14676.1126 837.963 c6h6o cyclohexa-2,4-dien-1-one 14676.1045 -0.008 1.08 Catalog
649 14686.6311 28.972 c3h cyclopropa_1_yne_3_yl_radical 14686.6246 -0.006 1.13 Catalog
650 14689.7148 12.228 cxhxo umol-1499 14689.6746 -0.040 2.33 Catalog
651 14697.6966 20.163 c3h cyclopropa_1_yne_3_yl_radical 14697.6820 -0.015 1.13 Catalog
989 14713.6900 8.270 c3h2o2 3-oxoprop-2-enal (anti) 14713.6839 -0.006 2.29 Catalog
652 14714.7037 6.735 c8h4 vinyl_triacetylene 14714.4916 -0.212 14.18 Catalog
653 14716.1937 8.978 c4h6o (Z)-but-2-enal (anti) 14716.2337 0.040 0.00 Line file
654 14726.5621 9.987 Artifact 14726.5625 0.000 0.00 Artifact
655 14733.2539 41.902 c6h6o benzenol 14733.2581 0.004 1.40 Catalog
656 14753.9945 38.636 c6h4 cyclohexa-1,3-dien-5-yne 14754.0083 0.014 0.83 Catalog
657 14755.3670 13.805 c3h cyclopropa_1_yne_3_yl_radical 14755.3696 0.003 1.13 Catalog
658 14762.5260 11.541 c6h6o benzenol 14762.6111 0.085 1.93 Catalog
659 14767.5601 17.571 c3h cyclopropa_1_yne_3_yl_radical 14767.6664 0.106 1.13 Catalog
660 14770.7242 8.536 c6h4 cyclohexa-1,3-dien-5-yne,2v16 14770.6945 -0.030 0.83 Catalog
661 14775.9868 12.246 c5h4o (Z)-pent-2-en-4-ynal (anti) 14775.8782 -0.109 2.29 Catalog
662 14780.7414 50.657 c5h4 penta-1,2-dien-4-yne 14780.7352 -0.006 1.77 Catalog
663 14828.7967 44.670 c5h6o 1,3-pentadien-5-al 14828.7996 0.003 1.94 Catalog
990 14829.4200 9.080 c5h4o (Z)-pent-2-en-4-ynal (anti) 14829.4051 -0.015 0.62 Catalog
991 14829.6900 6.510 c3h cyclopropa_1_yne_3_yl_radical 14829.5901 -0.100 1.14 Catalog
992 14840.5300 15.220 c3h cyclopropa_1_yne_3_yl_radical 14840.6474 0.117 1.14 Catalog
664 14841.0839 74.388 c6h6o 4-methylene cyclopentenone 14841.0835 -0.000 1.25 Catalog
993 14844.2700 24.200 c5h4o2 pyran-2-one 14844.4188 0.149 0.97 Catalog
665 14845.3643 38.466 c6h6o benzenol 14845.2160 -0.148 1.41 Catalog
666 14846.8723 19.691 cxhxo umol-1499 14847.0455 0.173 4.52 Catalog
667 14864.9653 9.888 c10h6 buta-1,3-diynylbenzene 14864.8753 -0.090 3.89 Catalog
668 14895.2522 10.723 c3h cyclopropa_1_yne_3_yl_radical 14895.2548 0.003 1.14 Catalog
669 14910.6223 11.726 c3h cyclopropa_1_yne_3_yl_radical 14910.6318 0.009 1.14 Catalog
670 14916.5092 9.090 cxhyo super3 14916.5101 0.001 0.91 Catalog
994 14918.7600 13.310 c6h6o cyclohexa-2,4-dien-1-one (13C2) 14918.7123 -0.048 6.27 Catalog
671 14919.6633 27.709 c5h4o pent-1-en-4-yn-3-one (anti) 14919.6695 0.006 1.04 Catalog
672 14926.3976 11.098 cxhxo umol-1313 14926.5690 0.171 0.94 Catalog
673 14980.4678 49.960 Artifact 14980.4688 0.001 0.00 Artifact
674 15022.0636 7.483 c5h3n (Z)-pent-2-en-4-ynenitrile 15021.9863 -0.077 3.61 Catalog
675 15065.3252 21.915 cxhyo super6 15065.3233 -0.002 0.00 Line file
676 15081.4089 469.854 c5h4 penta-1,2-dien-4-yne 15081.4104 0.001 1.01 Catalog
677 15099.2947 11.614 c10h6 buta-1,3-diynylbenzene 15099.2166 -0.078 3.80 Catalog
678 15146.0377 92.169 c3h2o prop-2-ynal 15146.0404 0.003 5.17 Catalog
679 15188.2525 40.104 c5h6o 1,3-pentadien-5-al 15188.2602 0.008 1.52 Catalog
995 15195.4700 8.260 c6h5o λ1-oxidanylbenzene (radical) 15195.4600 -0.010 0.00 Line file
998 15195.8200 12.670 c6h5o λ1-oxidanylbenzene (radical) 15195.8200 0.000 0.00 Line file
996 15196.2700 7.480 c6h5o λ1-oxidanylbenzene (radical) 15196.2700 0.000 0.00 Line file
997 15196.6200 11.800 c6h5o λ1-oxidanylbenzene (radical) 15196.6200 0.000 0.00 Line file
680 15196.8680 15.921 c6h5o λ1-oxidanylbenzene (radical) 15196.6200 -0.248 0.00 Line file
999 15197.3300 6.400 cxhxo umol-1499 15197.4117 0.082 1.35 Catalog
681 15215.9971 12.707 c6h6o 4-methylene cyclopentenone 15216.0017 0.005 1.90 Catalog
682 15224.7759 19.469 c9h5n 3-phenylprop-2-ynenitrile 15224.8009 0.025 8.07 Catalog
1000 15225.4200 10.920 c4h6o (Z)-but-2-enal (anti) 15225.3826 -0.037 1.02 Catalog
683 15234.0049 8.908 c7h6o 6-methylidenecyclohexa-2,4-dien-1-one 15233.9082 -0.097 1.62 Catalog
684 15236.2675 6.097 c5h6o 1,3-pentadien-5-al 15236.3362 0.069 3.34 Catalog
685 15237.3733 6.396 c6h6 (2Z)-hexa-1,3-dien-5-yne (anti) 15237.4453 0.072 1.53 Catalog
686 15240.5776 7.749 c7h6o 6-methylidenecyclohexa-2,4-dien-1-one 15240.4725 -0.105 1.62 Catalog
687 15263.2804 17.289 c7h6o 6-methylidenecyclohexa-2,4-dien-1-one 15263.2847 0.004 1.62 Catalog
688 15269.9888 8.315 c7h6o 6-methylidenecyclohexa-2,4-dien-1-one 15269.8490 -0.140 1.62 Catalog
689 15297.1865 8.935 c5h6o (2E)-2,4-pentadienal (syn) 15297.2018 0.015 1.53 Catalog
690 15300.8766 6.649 c10h6 buta-1,3-diynylbenzene 15300.9731 0.097 5.36 Catalog
691 15304.3499 54.397 c8h6 ethynylbenzene 15304.3527 0.003 1.94 Catalog
1001 15305.2400 10.170 c7h6o 4-methylidenecyclohexa-2,5-dien-1-one 15305.2468 0.007 1.67 Catalog
692 15314.7104 34.002 c8h6 ethynylbenzene,v23 15314.7124 0.002 1.94 Catalog
693 15362.4624 28.827 c7h6o benzaldehyde 15362.4561 -0.006 1.93 Catalog
694 15392.0754 87.944 c5h4 penta-1,2-dien-4-yne 15392.0763 0.001 1.81 Catalog
695 15442.1020 10.410 c7h6o 4-ethenylidene-cyclopent-2-en-1-one 15442.0477 -0.054 2.24 Catalog
696 15443.9478 11.562 c7h5n benzonitrile, v21 15444.0049 0.057 1.95 Catalog
697 15453.7767 55.291 c5h4o (Z)-pent-2-en-4-ynal (anti) 15453.7773 0.001 1.56 Catalog
698 15464.9205 14.389 c5h4o pent-2-en-4-ynal 15464.9186 -0.002 1.55 Catalog
699 15486.2900 7.907 c4h3n buta-2,3-dienenitrile 15486.3010 0.011 1.03 Catalog
700 15488.2802 28.866 Artifact 15488.2812 0.001 0.00 Artifact
701 15552.1131 11.165 c3h cyclopropa-1-yne-3-yl_radical,ve3 15552.0803 -0.033 2.62 Catalog
702 15562.8533 8.671 c6h6o (2E)-hexa-2,4,5-trienal 15562.8666 0.013 3.26 Catalog
703 15587.3910 11.290 c5h6o 1,3-pentadien-5-al 15587.4079 0.017 2.01 Catalog
1002 15609.3300 21.700 c6h6o cyclohexa-2,4-dien-1-one (13C3) 15609.3610 0.031 1.41 Catalog
1003 15610.1300 19.580 c7h6o 6-methylidenecyclohexa-2,4-dien-1-one 15610.1462 0.016 1.41 Catalog
704 15621.4530 37.014 c6h6o cyclohexa-2,5-dien-1-one (13C3) 15621.4505 -0.002 1.41 Catalog
705 15623.8779 25.369 c6h6o 4-methylene cyclopentenone 15623.8772 -0.001 1.92 Catalog
706 15658.4965 15.535 c6h6o cyclohexa-2,4-dien-1-one (13C4) 15658.4918 -0.005 1.41 Catalog
707 15670.9614 19.424 c6h6o cyclohexa-2,4-dien-1-one (13C2) 15670.9636 0.002 1.42 Catalog
708 15685.6580 32.646 c6h6o cyclohexa-2,5-dien-1-one (13C2) 15685.6518 -0.006 1.42 Catalog
709 15687.9898 23.615 c5h4o2 pyran-2-one 15687.9987 0.009 1.16 Catalog
710 15697.8709 19.467 c6h6o cyclohexa-2,5-dien-1-one (13C1) 15697.8984 0.028 1.42 Catalog
711 15733.6282 8.067 c6h6o cyclohexa-2,4-dien-1-one (13C5) 15733.6849 0.057 1.42 Catalog
712 15735.2944 6.522 c6h6o cyclohexa-2,4-dien-1-one (13C1) 15735.2271 -0.067 1.42 Catalog
1004 15745.6000 6.390 c7h6 2-ethynylcyclopenta-1,3-diene 15745.8322 0.232 6.09 Catalog
713 15750.7748 9.956 c6h6o cyclohexa-2,4-dien-1-one (13C6) 15750.7670 -0.008 1.42 Catalog
1005 15761.6000 8.190 c6h6o cyclohexa-2,5-dien-1-one ,v19 15761.5903 -0.010 1.43 Catalog
714 15762.1689 906.803 c6h6o cyclohexa-2,5-dien-1-one 15762.1681 -0.001 1.43 Catalog
1006 15762.8400 136.460 c5h6o (2E)-penta-2,4-dienal (anti) 15762.8204 -0.020 1.84 Catalog
715 15775.1485 27.533 c6h6o cyclohexa-2,5-dien-1-one ,v22 15775.1461 -0.002 1.43 Catalog
716 15777.4149 16.180 c4h4o 1,4-epoxybuta-1,3-diene 1-oxacyclopenta-2,4-diene 15777.5193 0.104 9.25 Catalog
717 15796.1677 19.546 c5h2o penta-2,4-diynal 15796.1748 0.007 3.64 Catalog
718 15814.1991 697.814 c6h6o cyclohexa-2,4-dien-1-one 15814.1946 -0.005 1.43 Catalog
719 15822.5717 19.147 c8h6 ethynylbenzene 15822.5683 -0.003 1.88 Catalog
720 15831.4253 8.467 c8h6 ethynylbenzene,v23 15831.4172 -0.008 1.88 Catalog
721 15843.1636 20.482 c7h6o benzaldehyde 15843.1643 0.001 1.89 Catalog
722 15893.6701 31.350 c5h2o penta-2,4-diynal 15893.6752 0.005 1.86 Catalog
723 15931.7401 36.332 c3h2 cyclopropa-1,2-diene,4v6 15931.7423 0.002 0.00 Line file
724 15945.8238 33.996 c5h6o (2E)-penta-2,4-dienal (anti) 15945.8240 0.000 2.77 Catalog
725 15951.9411 36.218 c7h5n benzonitrile 15951.9368 -0.004 1.89 Catalog
726 15960.5922 7.576 c7h5n benzonitrile, v21 15960.6884 0.096 1.89 Catalog
727 15971.1246 11.093 c6h4 hex-1-ene-3,5-diyne 15971.0931 -0.031 3.17 Catalog
728 15991.8200 8.822 c7h6o 4-methylidenecyclohexa-2,5-dien-1-one 15991.8010 -0.019 2.00 Catalog
729 15993.3098 39.790 c5h2o penta-2,4-diynal 15993.3100 0.000 3.66 Catalog
730 15996.1040 20.699 Artifact 15996.0938 -0.010 0.00 Artifact
731 16000.0026 103.707 Artifact 16000.0000 -0.003 0.00 Artifact
732 16104.2752 13.247 c6h6o cyclohexa-2,5-dien-1-one (13C4) 16104.0685 -0.207 1.39 Catalog
733 16106.2638 64.073 c6h4 hex-1-ene-3,5-diyne 16106.2639 0.000 1.88 Catalog
734 16111.5993 6.158 c5h2o penta-1,4-diyn-3-one 16111.5177 -0.082 1.56 Catalog
735 16143.5462 12.383 c6h6o cyclohexa-2,5-dien-1-one (13C3) 16143.5704 0.024 1.39 Catalog
736 16164.6710 13.460 c6h6o cyclohexa-2,4-dien-1-one (13C4) 16164.6624 -0.009 1.40 Catalog
737 16171.6524 12.534 c6h6o cyclohexa-2,4-dien-1-one (13C2) 16171.6559 0.003 1.40 Catalog
738 16228.1243 6.480 c6h6o cyclohexa-2,4-dien-1-one (13C5) 16228.1813 0.057 1.40 Catalog
739 16250.0004 306.821 Artifact 16250.0000 -0.000 0.00 Artifact
740 16262.6927 11.951 c6h6o cyclohexa-2,4-dien-1-one 16262.7143 0.022 2.62 Catalog
741 16272.6141 9.166 c6h6o cyclohexa-2,4-dien-1-one (13C6) 16272.7352 0.121 1.41 Catalog
742 16280.4865 8.939 c7h6 5-ethenylidenecyclopenta-1,3-diene 16280.4657 -0.021 1.85 Catalog
743 16285.9016 41.827 c5h4 penta-1,3-diyne 16285.9569 0.055 1.36 Catalog
744 16296.6109 16.163 c3h2 cyclopropa-1,2-diene,3v6 16296.6072 -0.004 0.00 Line file
745 16298.5875 10.211 c6h6o cyclohexa-2,5-dien-1-one ,v19 16298.5835 -0.004 1.41 Catalog
746 16300.4225 637.343 c6h6o cyclohexa-2,5-dien-1-one 16300.4222 -0.000 1.41 Catalog
747 16309.6488 39.292 c6h6o cyclohexa-2,5-dien-1-one ,v22 16309.6516 0.003 1.41 Catalog
1007 16310.7600 9.260 c6h5n cyclopenta-1,3-diene-1-carbonitrile 16310.8254 0.065 5.10 Catalog
748 16325.8347 10.076 c8h6 ethynylbenzene 16325.8401 0.005 2.49 Catalog
749 16331.4306 661.587 c6h6o cyclohexa-2,4-dien-1-one 16331.4332 0.003 1.41 Catalog
1008 16349.0700 6.400 c6h5o λ1-oxidanylbenzene (radical) 16349.0700 0.000 0.00 Line file
1009 16350.9100 13.300 c6h5o λ1-oxidanylbenzene (radical) 16350.6700 -0.240 0.00 Line file
1010 16351.5600 18.280 c6h5o λ1-oxidanylbenzene (radical) 16351.5500 -0.010 0.00 Line file
750 16362.2035 6.967 c6hn cyanoacetyl-cycloprop-1-ene-2,2-diyl 16362.2080 0.004 3.55 Catalog
751 16377.3931 8.116 c8h7n 2-phenylacetonitrile 16377.4782 0.085 7.40 Catalog
752 16402.1266 10.187 c5o 5-oxo-1,2,3,4-pentatetraenylidene 16402.1348 0.008 1.91 Catalog
753 16410.8578 6.817 c6h4 cyclohexa-1,3-dien-5-yne 16410.8422 -0.016 0.84 Catalog
754 16430.4125 16.803 c5h4o (E)-pent-2-en-4-ynal (anti) 16430.4062 -0.006 2.96 Catalog
755 16479.0057 10.528 c5h6o cyclopent-2-en-1-one 16479.0597 0.054 1.25 Catalog
756 16504.0890 13.304 Artifact 16503.9062 -0.183 0.00 Artifact
757 16555.2132 7.045 c6hn cyanopenta-2,4-diyne-2,2-diyl 16555.2462 0.033 3.06 Catalog
758 16604.4054 58.283 c5h4o (E)-pent-2-en-4-ynal (anti) 16604.4039 -0.001 1.94 Catalog
759 16608.8156 6.523 c4h4o but-2-ynal 16608.7217 -0.094 1.39 Catalog
760 16649.5008 10.260 c6h6 (2E)-hexa-1,3-dien-5-yne (anti) 16649.4117 -0.089 1.94 Catalog
1011 16706.7600 8.070 c5h 1,2,3,4-pentatetraene-1,1,5-trienyl radical 16706.7192 -0.041 1.27 Catalog
1012 16710.5800 7.920 c5h 1,2,3,4-pentatetraene-1,1,5-trienyl radical 16710.6171 0.037 1.27 Catalog
1013 16711.9600 8.140 c7h6o 6-methylidenecyclohexa-2,4-dien-1-one 16711.7701 -0.190 5.84 Catalog
761 16757.8064 6.771 Artifact 16757.8125 0.006 0.00 Artifact
762 16783.3890 14.483 c5h4o (E)-pent-2-en-4-ynal (anti) 16783.2944 -0.095 3.00 Catalog
763 16785.1834 8.944 c7h6o 4-ethenylidene-cyclopent-2-en-1-one 16785.2578 0.074 2.42 Catalog
764 16805.9332 6.915 c4h6o (E)-but-2-enal (anti) 16805.8843 -0.049 2.42 Catalog
765 16828.2152 38.282 c3h2 cyclopropa-1,2-diene,2v6 16828.2152 0.000 0.00 Line file
766 16870.9296 10.952 c6h6 (2E)-hexa-1,3-dien-5-yne (anti) 16870.8884 -0.041 2.81 Catalog
767 16888.2078 12.714 c5h4o2 pyran-2-one 16888.2083 0.001 1.53 Catalog
768 16899.1396 14.600 c6h3n hexa-4,5-dien-2-ynenitrile 16899.0728 -0.067 6.20 Catalog
769 16906.9034 12.325 c6h6o cyclohexa-2,4-dien-1-one 16906.8178 -0.086 3.42 Catalog
770 16910.7280 12.100 c8h6 ethynylbenzene 16910.7368 0.009 2.53 Catalog
1014 16917.2400 14.110 c6h5o λ1-oxidanylbenzene (radical) 16917.2400 0.000 0.00 Line file
1015 16918.1300 30.840 c6h5o λ1-oxidanylbenzene (radical) 16918.1300 0.000 0.00 Line file
1016 16919.7300 6.490 c6h5o λ1-oxidanylbenzene (radical) 16919.8200 0.090 0.00 Line file
1017 16920.5300 10.920 c7h6 5-ethenylidenecyclopenta-1,3-diene 16920.4993 -0.031 1.70 Catalog
771 16921.7887 37.576 c6h5o λ1-oxidanylbenzene (radical) 16921.7800 -0.009 0.00 Line file
1018 16922.3100 15.170 c6h5o λ1-oxidanylbenzene (radical) 16922.3100 0.000 0.00 Line file
772 16931.3348 6.879 c5h2o penta-1,4-diyn-3-one 16931.5624 0.228 4.72 Catalog
773 16980.3062 6.780 c8h4 vinyl_triacetylene 16980.2366 -0.070 9.31 Catalog
774 17016.2186 9.881 c3h4 prop-1-yne,ve1 17016.2221 0.004 0.00 Line file
775 17023.6027 26.880 c4h6o (E)-but-2-enal (anti) 17023.6153 0.013 1.42 Catalog
776 17091.7464 165.595 c3h4 prop-1-yne 17091.7420 -0.004 0.57 Catalog
777 17102.1051 26.645 c3h4 prop-1-yne,1v9 17102.0765 -0.029 0.57 Catalog
778 17156.3960 7.381 c7h6o benzaldehyde 17156.5779 0.182 7.95 Catalog
779 17253.2217 15.217 c6h6o benzenol 17253.1915 -0.030 1.44 Catalog
780 17273.3807 8.499 c3h2 cyclopropa-1,2-diene,1v5+1v6 17273.3365 -0.044 0.00 Line file
781 17290.1802 21.743 c3h2o propa-1,2-dien-1-one 17290.1811 0.001 0.87 Catalog
782 17292.1230 14.176 c3h4o prop-2-enal (anti) (13C1) 17292.1293 0.006 0.87 Catalog
783 17365.1502 19.981 c6h6o benzenol 17365.1532 0.003 1.44 Catalog
784 17368.7556 20.849 c3h4o 2-propenal (anti), ve1 17368.7633 0.008 2.30 Catalog
785 17387.6015 91.537 c3h4o 2-propenal (anti) 17387.5970 -0.004 2.30 Catalog
786 17435.7693 23.768 c5h4o2 pyran-2-one 17435.6804 -0.089 10.41 Catalog
787 17460.6697 6.149 c4hn cyanoprop-1,2-dien-1,3-diyl 17460.8511 0.181 1.50 Catalog
788 17467.2470 38.960 c5h6o cyclopent-2-en-1-one 17467.2330 -0.014 1.18 Catalog
789 17479.5013 8.237 c5h4o2 pyran-2-one 17479.6640 0.163 1.51 Catalog
790 17497.7272 6.284 c7h6o 4-methylidenecyclohexa-2,5-dien-1-one 17497.6852 -0.042 3.18 Catalog
791 17586.1843 13.270 c6h4 cis-hex-ene-diyene 17586.0194 -0.165 13.24 Catalog
792 17587.8314 34.744 c5h6 (E)-3-penten-1-yne, A state 17587.8179 -0.013 1.47 Catalog
793 17702.7146 54.366 c6h6o cyclohexa-2,5-dien-1-one 17702.7112 -0.003 1.88 Catalog
794 17716.1060 44.662 c5h4o cyclopenta-2,4-dien-1-one 17716.1058 -0.000 1.35 Catalog
1019 17725.1600 6.860 c3h4o prop-2-enal (anti) (13C2) 17725.1819 0.022 0.89 Catalog
1020 17725.8700 6.560 c5h4o cyclopenta-2,4-dien-1-one, ve1 17725.8129 -0.057 1.35 Catalog
795 17749.8455 6.431 c6h6o cyclohexa-2,4-dien-1-one (13C5) 17750.0655 0.220 9.10 Catalog
796 17782.0087 18.116 c3h4o 2-propenal (anti), ve1 17782.0084 -0.000 0.89 Catalog
797 17788.6140 7.750 c4h2 butatrienylidene 17788.5645 -0.049 10.23 Catalog
798 17789.9914 11.176 c3h4o 2-propenal (syn) 17790.0965 0.105 2.22 Catalog
799 17795.4159 45.093 c6h6o cyclohexa-2,4-dien-1-one 17795.4169 0.001 1.88 Catalog
800 17801.3058 245.665 c3h4o 2-propenal (anti) 17801.3089 0.003 0.89 Catalog
801 17952.2516 7.889 c7h5n benzonitrile 17952.1908 -0.061 2.55 Catalog
802 18007.4868 11.146 c5h6 (Z)-3-penten-1-yne, E state 18007.4946 0.008 0.00 Line file
803 18054.3280 7.526 c3h2o prop-2-ynal (13C3) 18054.3055 -0.023 0.90 Catalog
804 18146.5523 84.670 c3ho penta-1,2-dien-1-one-3-yl radical 18146.5949 0.043 0.91 Catalog
805 18175.4141 40.899 c6h6o cyclohexa-2,5-dien-1-one 18175.4055 -0.009 2.40 Catalog
806 18196.2074 8.015 c3hn prop-2-ynenitrile 18196.2183 0.011 0.91 Catalog
807 18211.9412 6.569 c5h6o 1,3-pentadien-5-al 18211.9828 0.042 2.13 Catalog
808 18221.1521 53.417 c3h4o 2-propenal (anti) 18221.1634 0.011 2.34 Catalog
809 18241.7296 15.921 c3h2 cyclopropa-1,2-diene,1v3 18241.7207 -0.009 0.00 Line file
810 18255.5706 14.788 c7h6o benzaldehyde 18255.4059 -0.165 2.49 Catalog
1021 18256.0000 7.950 c4ho buta-1,2,3-trien-1-one-4-yl 18256.0353 0.035 1.52 Catalog
811 18257.7505 12.937 c5h4o (Z)-pent-2-en-4-ynal (anti) 18257.7354 -0.015 1.84 Catalog
812 18260.9698 13.058 c3h2 cyclopropa-1,2-diene,1v2 18260.9810 0.011 0.00 Line file
813 18265.4157 8.669 c8h6 ethynylbenzene 18265.4256 0.010 2.48 Catalog
814 18281.2500 24.162 Artifact 18281.2500 0.000 0.00 Artifact
815 18294.7327 14.747 c6h6o cyclohexa-2,4-dien-1-one 18294.6689 -0.064 2.39 Catalog
816 18325.5456 91.746 c3h2o prop-2-ynal 18325.5413 -0.004 3.03 Catalog
817 18343.1476 289.714 c3h2 cyclopropa-1,2-diene,gs 18343.1445 -0.003 2.25 Catalog
818 18388.4289 21.462 c5h6o (2E)-penta-2,4-dienal (anti) 18388.4240 -0.005 2.45 Catalog
819 18396.7263 40.357 c2h3n methylcyanide 18396.7270 0.001 0.61 Catalog
820 18397.9966 50.080 c2h3n methylcyanide 18397.9938 -0.003 0.61 Catalog
821 18399.8943 12.465 c5h2 pentatetraenylidene 18399.9172 0.023 10.72 Catalog
1022 18409.4200 6.590 c7h5n benzonitrile 18409.3840 -0.036 2.51 Catalog
822 18413.7990 8.223 c3h2 cyclopropa-1,2-diene (H13CCCH) 18413.8000 0.001 0.00 Line file
823 18469.8847 30.940 c6h6o cyclohexa-2,4-dien-1-one 18469.8920 0.007 2.40 Catalog
824 18476.1956 6.016 Artifact 18476.0000 -0.196 0.00 Artifact
825 18542.3489 10.444 c5h2o penta-2,4-diynal 18542.3580 0.009 2.47 Catalog
826 18556.1995 22.627 c3h2o prop-2-ynal (13C1) 18556.1925 -0.007 0.93 Catalog
827 18561.7830 26.134 c3h2o prop-2-ynal (13C2) 18561.7788 -0.004 0.93 Catalog
1023 18564.8900 6.810 c4h4 but-1-en-3-yne 18564.8878 -0.002 2.46 Catalog
828 18650.3075 1100.419 c3h2o prop-2-ynal 18650.3089 0.001 0.93 Catalog
829 18677.8592 6.863 c7h4 hepta-1,3,5-triyne 18677.8167 -0.042 4.05 Catalog
830 18685.4193 24.432 c6h6o benzenol 18685.4117 -0.008 0.90 Catalog
831 18773.3796 24.322 c4h4o c4h4o-isomer4 18773.3874 0.008 1.57 Catalog
832 18790.0167 8.903 c6h4 hex-1-ene-3,5-diyne 18790.0010 -0.016 2.51 Catalog
833 18797.4592 14.263 c6h6o benzenol 18797.3136 -0.146 0.90 Catalog
834 18838.3588 84.176 c5h4o cyclopenta-2,4-dien-1-one 18838.3573 -0.002 1.28 Catalog
835 18844.8811 33.875 c5h4o cyclopenta-2,4-dien-1-one, ve1 18844.8779 -0.003 1.28 Catalog
836 18919.6032 11.633 c6h6o benzenol 18919.6738 0.071 2.07 Catalog
837 18966.9139 6.587 c7h5n benzonitrile, v15 18966.8215 -0.092 3.14 Catalog
838 18978.7869 72.046 c3h2o prop-2-ynal 18978.7843 -0.003 3.06 Catalog
839 19150.5199 199.260 c6h6o cyclohexa-2,5-dien-1-one 19150.5198 -0.000 1.72 Catalog
840 19175.5635 6.080 c6h6 (2E)-hexa-1,3-dien-5-yne (anti) 19175.5326 -0.031 3.40 Catalog
841 19243.5198 148.241 c3o 3-oxo-1,2-propadienylidene 19243.5206 0.001 0.96 Catalog
842 19252.2525 105.524 c6h6o cyclohexa-2,4-dien-1-one 19252.2588 0.006 1.72 Catalog
843 19254.6482 58.416 c6h6o cyclohexa-2,5-dien-1-one 19254.6448 -0.003 1.96 Catalog
844 19262.1408 25.845 c2h4o acetaldehyde 19262.1411 0.000 0.71 Catalog
845 19265.1456 23.960 c2h4o acetaldehyde 19265.1353 -0.010 0.64 Catalog
846 19276.8946 7.074 c6h6o cyclohexa-2,5-dien-1-one ,v22 19276.9837 0.089 1.96 Catalog
847 19294.2443 7.478 c5h4o (Z)-pent-2-en-4-ynal (anti) 19294.2697 0.025 2.20 Catalog
848 19332.3081 14.721 c3h2o2 3-oxoprop-2-enal (anti) 19332.3051 -0.003 1.61 Catalog
849 19346.0005 23.720 c3h4o 2-propenal (syn) 19345.9976 -0.003 1.76 Catalog
850 19370.5323 13.451 c5h4o (E)-pent-2-en-4-ynal (anti) 19370.5107 -0.022 2.58 Catalog
851 19418.0659 305.553 c6h6o cyclohexa-2,4-dien-1-one 19418.0631 -0.003 1.97 Catalog
852 19421.9352 7.146 c6h6 (2E)-hexa-1,3-dien-5-yne (anti) 19421.9204 -0.015 2.59 Catalog
853 19484.4582 70.906 c6h6o cyclohexa-2,5-dien-1-one 19484.4614 0.003 2.08 Catalog
854 19540.9859 76.543 c6h6o cyclohexa-2,4-dien-1-one 19540.9870 0.001 2.08 Catalog
855 19662.9026 20.068 c6h6o benzenol 19662.9146 0.012 0.91 Catalog
856 19736.5254 9.930 c5h6o cyclopent-2-en-1-one 19736.3937 -0.132 1.47 Catalog
857 19786.0624 10.096 c5h4o cyclopenta-2,4-dien-1-one 19785.9815 -0.081 1.97 Catalog
858 19800.2601 62.718 c6h6o cyclohexa-2,5-dien-1-one 19800.2606 0.001 2.07 Catalog
859 19835.2212 65.072 c6h6o cyclohexa-2,4-dien-1-one 19835.2208 -0.000 2.07 Catalog

Unidentified lines

Frequency Intensity
0 7219.4993 6.31
1 7251.2702 7.01
2 7289.9855 8.60
3 7565.3095 7.17
4 8146.0273 6.44
5 8330.6307 6.25
6 8356.7635 9.84
7 8372.1284 8.95
8 8441.1253 8.17
9 8463.2868 12.25
10 8473.6905 8.21
11 8633.4232 38.51
12 9040.0088 7.29
13 9080.3561 6.50
14 9141.9466 8.83
15 9308.9015 7.70
16 9361.3670 7.51
17 9420.0295 9.39
18 9494.1184 10.49
19 9576.2993 16.52
20 9879.6534 10.17
21 9893.8822 7.40
22 10190.7794 6.26
23 10217.4562 8.76
24 10252.4281 7.26
25 10545.0190 6.20
26 11131.3448 11.64
27 11146.9201 6.85
28 11359.8952 6.46
29 11430.6492 6.31
30 11458.0162 8.01
31 11502.9524 7.25
32 11508.4391 6.01
33 11557.9169 9.42
34 11694.2242 7.59
35 11726.0825 7.29
36 11767.4857 53.20
37 11824.2534 17.80
38 11841.3845 7.07
39 11874.1562 8.74
40 11889.8641 9.50
41 11939.3748 10.83
42 12122.0806 8.79
43 12154.9988 14.74
44 12182.4240 10.06
45 12193.7018 12.65
46 12218.5553 19.81
47 12316.2557 8.61
48 12317.8967 39.58
49 12418.9341 6.07
50 12454.3905 8.17
51 12521.3833 10.81
52 12527.3818 31.50
53 12546.1057 11.80
54 12658.7760 13.79
55 12671.7520 14.30
56 12680.8762 6.36
57 12684.4876 12.22
58 12737.7756 7.86
59 12782.1182 9.42
60 12815.8984 6.37
61 12917.5892 8.83
62 12927.0505 11.10
63 12929.9631 11.52
64 13126.1540 8.25
65 13161.3886 15.14
66 13197.7222 13.28
67 13199.3789 21.16
68 13399.9398 7.14
69 13493.5156 10.95
70 13505.8796 6.45
71 13558.0248 7.53
72 13561.2126 12.37
73 13569.7262 8.14
74 13571.1725 23.35
75 13602.1762 9.49
76 13606.2622 10.38
77 13730.8574 26.17
78 13907.6215 8.12
79 14122.7900 7.66
80 14154.4812 7.33
81 14340.5881 9.72
82 14438.8942 7.88
83 14694.0015 6.79
84 14832.8666 13.37
85 14835.2539 7.05
86 15026.4995 7.23
87 15089.8112 14.19
88 15118.9496 7.71
89 15334.8894 11.48
90 15388.4414 24.68
91 15539.9817 10.13
92 15757.0625 8.11
93 15773.9960 9.78
94 16083.5322 9.01
95 16394.9291 8.15
96 16426.0667 6.53
97 16807.4054 7.60
98 16883.1936 11.72
99 17259.8434 13.25
100 17550.0831 10.86
101 17705.6553 12.74
102 18817.2206 6.89
103 6321.2440 7.35
104 7382.4900 7.23
105 7815.5600 6.63
106 9377.9600 9.41
107 9502.5800 6.34
108 10034.8400 9.04
109 11635.2900 6.08
110 11898.1300 12.80
111 12060.9800 6.50
112 12072.4400 6.64
113 12544.5300 6.58
114 12553.9600 8.49
115 12589.6900 17.81
116 12666.7600 9.06
117 12677.2400 9.17
118 12854.9300 8.56
119 12922.1300 15.52
120 12944.8900 8.96
121 13385.6900 6.79
122 13508.0900 6.73
123 13664.2700 9.64
124 13789.6900 11.75
125 13914.9300 7.84
126 13944.1800 13.17
127 13946.0400 13.85
128 14187.0200 9.00
129 14469.2400 7.81
130 14622.7600 19.04
131 14766.8400 9.21
132 14845.7800 22.50
133 16927.1100 7.61